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2,3-Dimethylacrylic acid, (E)-

PubChem CID: 125468

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Compound Synonyms TIGLIC ACID, 80-59-1, Tiglinic acid, trans-2,3-Dimethylacrylic acid, Cevadic acid, 2-methylbut-2-enoic acid, (E)-2-Methylbut-2-enoic acid, trans-2-Methyl-2-butenoic acid, (E)-2-Methyl-2-butenoic acid, 2-Methyl-2-butenoic acid, trans-2-Methylcrotonic acid, (E)-2,3-Dimethylacrylic acid, (E)-2-Methylcrotonic acid, Crotonic acid, 2-methyl-, (E)-, 2-Butenoic acid, 2-methyl-, (2E)-, tiglate, (2E)-2-methylbut-2-enoic acid, 2,3-Dimethylacrylic acid, (E)-, 13201-46-2, alpha-Methylcrotonic acid, FEMA No. 3599, trans-alpha,beta-Dimethylacrylic acid, 2-Butenoic acid, 2-methyl-, (E)-, 2-Methylcrotonic acid, NSC 44235, Tiglinsaeure, alpha-Methylcrotonic acid, (E)-, 2-Methyl-2-butenoic acid, (E)-, EINECS 201-295-0, MFCD00066864, (E)-2-methyl-Crotonic acid, UNII-I5792N03HC, BRN 1236500, CHEBI:9592, AI3-36118, HSDB 7614, methyl methacrylic acid, I5792N03HC, NSC-8999, 2,3-Dimethylacrylic acid, NSC-44235, 2-methyl-2E-butenoic acid, trans-.alpha.,.beta.-Dimethylacrylic acid, 2-methyl-(E)-2-butenoic acid, alpha,beta-dimethyl acrylic acid, E)-2-METHYLCROTONIC ACID, NSC8999, 4-02-00-01552 (Beilstein Handbook Reference), NSC44235, 2-METHYLBUT-2-ENOIC ACID, (E)-, METHYL-2-BUTENOIC ACID, TRANS-2-, Tiglicacid, 2-Butenoic acid,2-methyl-, Cevadate, Tiglinate, epsilon-Tiglate, E-Tiglate, Methylbutenoicacid, E-Tiglic acid, (2E)-2-Methyl-2-butenoic acid, 2-methyl-Crotonate, epsilon-Tiglic acid, EINECS 236-167-3, methyl crotonic acid, methylmethacrylic acid, 2,3-Dimethylacrylate, 2-methyl-2-butenoate, Tiglic acid, (E)-, 2-Methylbut-2-enoate, 2-methyl-Crotonic acid, trans-2-Methylcrotonate, (E)-2-Methylcrotonate, 2-methylbut-2-enoicacid, (E)-2-methyl-Crotonate, alpha-methyl-crotonic acid, TIGLIC ACID [MI], trans-2,3-Dimethylacrylic acid (Tiglic acid), bmse000727, TIGLIC ACID [HSDB], trans-2,3-Dimethylacrylate, (E)-2,3-Dimethylacrylate, 2-methyl-(E)-2-butenoate, trans-2-Methyl-2-butenoate, (E)-2-methyl-2-Butenoate, SCHEMBL15042, CHEMBL52416, (2E)-2-Methyl-2-butenoate, GTPL6499, trans-Crotonic acid, 2-methyl-, CHEBI:36432, trans-alpha,beta-Dimethylacrylate, DTXSID80883257, trans-2-methyl-but-2-enoic acid, BCP18945, (2E)-2-Methyl-2-butenoic acid #, LMFA01020030, s3789, AKOS003375681, CCG-266028, CS-W013715, FM71312, HY-W012999, trans-2,3-Dimethylacrylic acid, 98%, (E)-.ALPHA.-METHYLCROTONIC ACID, NCGC00648718-02, DA-58577, LS-13047, CS-0356606, NS00009823, T0246, Tiglic acid/trans-2,3-Dimethylacrylic acid), EN300-83150, C08279, D78012, EN300-370249, TRANS-2-METHYL-2-BUTENOIC ACID [FHFI], trans-2-Methyl-2-butenoic acid, >=99%, FG, Q425475, Q27116830, F0001-2086, Z1205493556, trans-2-Methylcrotonic acid = trans-2-Methyl-2-butenoate, trans-2-Methylcrotonic acid = trans-2-Methyl-2-butenoic acid, trans-2-Methylcrotonic acid = trans-2-Methyl-2-butenoic acid = Tiglinate, alpha,beta-dimethyl acrylic acid, 2-Methyl-2-butenoic acid, (E)-2-methyl-Crotonic acid, trans-2-Methylcrotonic acid = trans-2-Methyl-2-butenoic acid = Tiglinic acid, 201-295-0, trans-2,3-Dimethylacrylic acid, trans-2-Methyl-2-butenoic acid, (2E)-2-Methyl-2-butenoic acid
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 37.3
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Np Classifier Class Branched fatty acids
Deep Smiles C/C=CC))/C=O)O
Heavy Atom Count 7.0
Classyfire Class Fatty acyls
Classyfire Subclass Fatty acids and conjugates
Isotope Atom Count 0.0
Molecular Complexity 103.0
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P22309
Iupac Name (E)-2-methylbut-2-enoic acid
Prediction Hob 1.0
Class Fatty Acyls
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 1.0
Superclass Lipids and lipid-like molecules
Subclass Fatty acids and conjugates
Gsk 4 400 Rule True
Molecular Formula C5H8O2
Prediction Swissadme 0.0
Inchi Key UIERETOOQGIECD-ONEGZZNKSA-N
Silicos It Class Soluble
Fcsp3 0.4
Rotatable Bond Count 1.0
State Solid
Synonyms (e)-2,3-Dimethylacrylic acid, (e)-2-Methylbut-2-enoic acid, (e)-2-Methylcrotonic acid, Methyl methacrylic acid, Tiglinsaeure, trans-2,3-Dimethylacrylic acid, trans-2-Methyl-2-butenoic acid, trans-2-Methylcrotonic acid, trans-alpha,beta-Dimethylacrylic acid, (e)-2,3-Dimethylacrylate, (e)-2-Methylbut-2-enoate, (e)-2-Methylcrotonate, Methyl methacrylate, trans-2,3-Dimethylacrylate, trans-2-Methyl-2-butenoate, trans-2-Methylcrotonate, trans-a,b-Dimethylacrylate, trans-a,b-Dimethylacrylic acid, trans-alpha,beta-Dimethylacrylate, trans-Α,β-dimethylacrylate, trans-Α,β-dimethylacrylic acid, Tiglate, (2E)-2-Methyl-2-butenoate, (2E)-2-Methyl-2-butenoic acid, (e)-2-Methyl-2-butenoate, (e)-2-Methyl-2-butenoic acid, (e)-2-Methyl-crotonate, (e)-2-Methyl-crotonic acid, 2,3-Dimethylacrylate, 2,3-Dimethylacrylic acid, 2-Methyl-(e)-2-butenoate, 2-Methyl-(e)-2-butenoic acid, 2-Methyl-2-butenoate, 2-Methyl-2-butenoic acid, 2-Methyl-crotonate, 2-Methyl-crotonic acid, 2-Methylbut-2-enoate, 2-Methylbut-2-enoic acid, Cevadate, Cevadic acid, e-Tiglate, e-Tiglic acid, epsilon-Tiglate, epsilon-Tiglic acid, Methylbutenoicacid, Tiglinate, Tiglinic acid, trans-2-Methylcrotonic acid = trans-2-methyl-2-butenoate, trans-2-Methylcrotonic acid = trans-2-methyl-2-butenoic acid, trans-2-Methylcrotonic acid = trans-2-methyl-2-butenoic acid = tiglinate, trans-2-Methylcrotonic acid = trans-2-methyl-2-butenoic acid = tiglinic acid, Tiglic acid, (Z)-isomer, Tiglic acid, (e)-isomer, tiglic acid
Esol Class Very soluble
Functional Groups C/C=C(C)C(=O)O
Compound Name 2,3-Dimethylacrylic acid, (E)-
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 100.052
Formal Charge 0.0
Monoisotopic Mass 100.052
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 100.12
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol -1.0184253999999997
Inchi InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+
Smiles C/C=C(\C)/C(=O)O
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 1.0
Egan Rule True
Taxonomy Direct Parent Methyl-branched fatty acids
Np Classifier Superclass Fatty Acids and Conjugates

  • 1. Outgoing r'ship FOUND_IN to/from Acacia Pubescens (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Aconitum Ferox (Plant) Rel Props:Reference:
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  • 9. Outgoing r'ship FOUND_IN to/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 12. Outgoing r'ship FOUND_IN to/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all
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  • 27. Outgoing r'ship FOUND_IN to/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients
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  • 30. Outgoing r'ship FOUND_IN to/from Angelica Acutiloba (Plant) Rel Props:Reference:
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  • 33. Outgoing r'ship FOUND_IN to/from Angelica Cyclocarpa (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Angelica Dahurica (Plant) Rel Props:Reference:
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  • 44. Outgoing r'ship FOUND_IN to/from Angelica Lucida (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Angelica Nubigena (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Angelica Officinalis (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Angelica Pachycarpa (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 49. Outgoing r'ship FOUND_IN to/from Angelica Saxatilis (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Reference:
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  • 53. Outgoing r'ship FOUND_IN to/from Angelica Talwaniana (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Angelica Tarokoensis (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Angelica Tenuissima (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Angelica Ursina (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Antiaris Africana (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Archangelica Decurrens (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Arnebia Benthamii (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Arnebia Decumbens (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Arnebia Euchroma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 62. Outgoing r'ship FOUND_IN to/from Arnebia Guttata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 63. Outgoing r'ship FOUND_IN to/from Arnebia Hispidissima (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Arnebia Nobilis (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Austrotaxus Spicata (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Azadirachta Indica (Plant) Rel Props:Reference:ISBN:9780896038776; ISBN:9788185042084
  • 67. Outgoing r'ship FOUND_IN to/from Bellis Perennis (Plant) Rel Props:Reference:ISBN:9788172362089
  • 68. Outgoing r'ship FOUND_IN to/from Berberis Lycium (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Betula Pubescens (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Bupleurum Chinense (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Calystegia Pubescens (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Reference:ISBN:9788185042084
  • 73. Outgoing r'ship FOUND_IN to/from Canavalia Africana (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Cautleya Spicata (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Centrosema Pubescens (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Cinchona Pubescens (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Cirsium Chinense (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Clerodendrum Chinense (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Clinopodium Chinense (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Consolida Pubescens (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Convolvulus Scammonia (Plant) Rel Props:Reference:ISBN:9788185042145
  • 82. Outgoing r'ship FOUND_IN to/from Croton Argyratus (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Croton Balsamifer (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Croton Bonplandianum (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Croton Bonplandianus (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Croton Cajucara (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Croton Californicus (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Croton Campestris (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Croton Cascarilloides (Plant) Rel Props:Reference:
  • 90. Outgoing r'ship FOUND_IN to/from Croton Caudatus (Plant) Rel Props:Reference:
  • 91. Outgoing r'ship FOUND_IN to/from Croton Celtidifolius (Plant) Rel Props:Reference:
  • 92. Outgoing r'ship FOUND_IN to/from Croton Cumingii (Plant) Rel Props:Reference:
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  • 134. Outgoing r'ship FOUND_IN to/from Epimedium Pubescens (Plant) Rel Props:Reference:
  • 135. Outgoing r'ship FOUND_IN to/from Eriosema Chinense (Plant) Rel Props:Reference:
  • 136. Outgoing r'ship FOUND_IN to/from Eupatorium Chinense (Plant) Rel Props:Reference:
  • 137. Outgoing r'ship FOUND_IN to/from Euphorbia Pubescens (Plant) Rel Props:Reference:
  • 138. Outgoing r'ship FOUND_IN to/from Euphorbia Umbellata (Plant) Rel Props:Reference:ISBN:9788172363093
  • 139. Outgoing r'ship FOUND_IN to/from Euryale Ferox (Plant) Rel Props:Reference:
  • 140. Outgoing r'ship FOUND_IN to/from Ficus Benghalensis (Plant) Rel Props:Reference:ISBN:9788172360481
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  • 147. Outgoing r'ship FOUND_IN to/from Ilex Pubescens (Plant) Rel Props:Reference:
  • 148. Outgoing r'ship FOUND_IN to/from Indigofera Spicata (Plant) Rel Props:Reference:
  • 149. Outgoing r'ship FOUND_IN to/from Ipomoea Nil (Plant) Rel Props:Reference:ISBN:9788172361150
  • 150. Outgoing r'ship FOUND_IN to/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965
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  • 155. Outgoing r'ship FOUND_IN to/from Liriope Spicata (Plant) Rel Props:Reference:
  • 156. Outgoing r'ship FOUND_IN to/from Lithospermum Canescens (Plant) Rel Props:Reference:
  • 157. Outgoing r'ship FOUND_IN to/from Lithospermum Erythrorhizon (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 158. Outgoing r'ship FOUND_IN to/from Lithospermum Officinale (Plant) Rel Props:Reference:
  • 159. Outgoing r'ship FOUND_IN to/from Lithospermum Ruderale (Plant) Rel Props:Reference:
  • 160. Outgoing r'ship FOUND_IN to/from Loropetalum Chinense (Plant) Rel Props:Reference:
  • 161. Outgoing r'ship FOUND_IN to/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 162. Outgoing r'ship FOUND_IN to/from Lycium Cestroides (Plant) Rel Props:Reference:
  • 163. Outgoing r'ship FOUND_IN to/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 164. Outgoing r'ship FOUND_IN to/from Lycium Europaeum (Plant) Rel Props:Reference:
  • 165. Outgoing r'ship FOUND_IN to/from Lycium Ruthenicum (Plant) Rel Props:Reference:
  • 166. Outgoing r'ship FOUND_IN to/from Lycopodium Chinense (Plant) Rel Props:Reference:
  • 167. Outgoing r'ship FOUND_IN to/from Mammea Africana (Plant) Rel Props:Reference:
  • 168. Outgoing r'ship FOUND_IN to/from Mentha Spicata (Plant) Rel Props:Reference:
  • 169. Outgoing r'ship FOUND_IN to/from Metzgeria Pubescens (Plant) Rel Props:Reference:
  • 170. Outgoing r'ship FOUND_IN to/from Micromelum Pubescens (Plant) Rel Props:Reference:
  • 171. Outgoing r'ship FOUND_IN to/from Morinda Pubescens (Plant) Rel Props:Reference:
  • 172. Outgoing r'ship FOUND_IN to/from Moullava Spicata (Plant) Rel Props:Reference:
  • 173. Outgoing r'ship FOUND_IN to/from Mussaenda Pubescens (Plant) Rel Props:Reference:
  • 174. Outgoing r'ship FOUND_IN to/from Myrsine Africana (Plant) Rel Props:Reference:
  • 175. Outgoing r'ship FOUND_IN to/from Nymphaea Pubescens (Plant) Rel Props:Reference:
  • 176. Outgoing r'ship FOUND_IN to/from Otholobium Pubescens (Plant) Rel Props:Reference:
  • 177. Outgoing r'ship FOUND_IN to/from Peltogyne Pubescens (Plant) Rel Props:Reference:
  • 178. Outgoing r'ship FOUND_IN to/from Phellodendron Chinense (Plant) Rel Props:Reference:
  • 179. Outgoing r'ship FOUND_IN to/from Physalis Pubescens (Plant) Rel Props:Reference:
  • 180. Outgoing r'ship FOUND_IN to/from Pogostemon Pubescens (Plant) Rel Props:Reference:
  • 181. Outgoing r'ship FOUND_IN to/from Polemonium Caeruleum (Plant) Rel Props:Reference:ISBN:9788185042114
  • 182. Outgoing r'ship FOUND_IN to/from Polygonum Chinense (Plant) Rel Props:Reference:
  • 183. Outgoing r'ship FOUND_IN to/from Prosopis Africana (Plant) Rel Props:Reference:
  • 184. Outgoing r'ship FOUND_IN to/from Prunus Africana (Plant) Rel Props:Reference:
  • 185. Outgoing r'ship FOUND_IN to/from Quassia Africana (Plant) Rel Props:Reference:
  • 186. Outgoing r'ship FOUND_IN to/from Ribes Fasciculatum (Plant) Rel Props:Reference:
  • 187. Outgoing r'ship FOUND_IN to/from Schenkia Spicata (Plant) Rel Props:Reference:
  • 188. Outgoing r'ship FOUND_IN to/from Siegesbeckia Orientalis (Plant) Rel Props:Reference:
  • 189. Outgoing r'ship FOUND_IN to/from Sigesbeckia Pubescens (Plant) Rel Props:Reference:
  • 190. Outgoing r'ship FOUND_IN to/from Solanum Ferox (Plant) Rel Props:Reference:
  • 191. Outgoing r'ship FOUND_IN to/from Solanum Pubescens (Plant) Rel Props:Reference:
  • 192. Outgoing r'ship FOUND_IN to/from Sterculia Guttata (Plant) Rel Props:Reference:
  • 193. Outgoing r'ship FOUND_IN to/from Swertia Pubescens (Plant) Rel Props:Reference:
  • 194. Outgoing r'ship FOUND_IN to/from Symplocos Spicata (Plant) Rel Props:Reference:
  • 195. Outgoing r'ship FOUND_IN to/from Syringa Pubescens (Plant) Rel Props:Reference:
  • 196. Outgoing r'ship FOUND_IN to/from Thesium Chinense (Plant) Rel Props:Reference:
  • 197. Outgoing r'ship FOUND_IN to/from Thymbra Spicata (Plant) Rel Props:Reference:
  • 198. Outgoing r'ship FOUND_IN to/from Uncaria Africana (Plant) Rel Props:Reference:
  • 199. Outgoing r'ship FOUND_IN to/from Vasconcellea Pubescens (Plant) Rel Props:Reference:
  • 200. Outgoing r'ship FOUND_IN to/from Verbascum Chinense (Plant) Rel Props:Reference:
  • 201. Outgoing r'ship FOUND_IN to/from Vernonia Chinense (Plant) Rel Props:Reference:
  • 202. Outgoing r'ship FOUND_IN to/from Wagatea Spicata (Plant) Rel Props:Reference: