2-Methyloctane

PubChem CID: 18591

Connections displayed (default: 10).

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Compound Synonyms	2-METHYLOCTANE, 3221-61-2, Isononane, Octane, 2-methyl-, Heptane, dimethyl-, 2-methyl-octane, 2-Methyl octane, DIMETHYLHEPTANE, 34464-40-9, MFCD00027307, AV5KXW7I9L, 30498-66-9, NSC-23695, Isononane (8CI,9CI), UNII-AV5KXW7I9L, 2-METHYLOCTANE, 99%, Dimethyl-Heptane, EINECS 221-748-6, EINECS 252-053-6, EINECS 271-364-8, NSC 23695, METHYLOCTANE, 2-, 2-Methyloctane, NSC 23695, DTXSID30863125, NSC23695, Octane, 2-methyl- (8CI)(9CI), 2-Methyloctane, >=99.0% (GC), AKOS024319139, LS-13718, DB-048181, DB-303407, M0308, NS00046346, D91311, Q2813823
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	0.0
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Np Classifier Class	Hydrocarbons
Deep Smiles	CCCCCCCC)C
Heavy Atom Count	9.0
Classyfire Class	Saturated hydrocarbons
Classyfire Subclass	Alkanes
Isotope Atom Count	0.0
Molecular Complexity	46.0
Database Name	cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	2-methyloctane
Prediction Hob	1.0
Class	Saturated hydrocarbons
Veber Rule	True
Classyfire Superclass	Hydrocarbons
Xlogp	4.8
Superclass	Hydrocarbons
Subclass	Alkanes
Gsk 4 400 Rule	True
Molecular Formula	C9H20
Prediction Swissadme	0.0
Inchi Key	ZUBZATZOEPUUQF-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	1.0
Logs	-5.051
Rotatable Bond Count	5.0
State	Liquid
Logd	4.708
Synonyms	2-Methyl octane, 2-Methyl-octane, 2-METHYLOCTANE, 99%, C8-10-Iso-alkanes, Dimethyl-heptane, Dimethylheptane, Octane, 2-methyl- (8ci)(9ci), 2-methyl-octane, 2-methyloctane, isononane, octane, 2-methyl
Esol Class	Soluble
Compound Name	2-Methyloctane
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	128.157
Formal Charge	0.0
Monoisotopic Mass	128.157
Hydrogen Bond Acceptor Count	0.0
Molecular Weight	128.25
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aliphatic acyclic compounds
Lipinski Rule Of 5	True
Esol	-3.3292057999999995
Inchi	InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3
Smiles	CCCCCCC(C)C
Nring	0.0
Np Classifier Biosynthetic Pathway	Fatty acids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Branched alkanes
Np Classifier Superclass	Fatty acyls

1. Outgoing r'ship FOUND_IN to/from Acacia Pubescens (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Aconitum Gigas (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aeollanthus Pubescens (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
5. Outgoing r'ship FOUND_IN to/from Angelica Anomala (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Angelica Archangelica (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Angelica Cyclocarpa (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Angelica Dahurica (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Angelica Decursiva (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Angelica Furcijuga (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Angelica Genuflexa (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
13. Outgoing r'ship FOUND_IN to/from Angelica Glabra (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Angelica Glauca (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Angelica Hirsutiflora (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Angelica Japonica (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Angelica Keiskei (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Angelica Lucida (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Angelica Nubigena (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Angelica Officinalis (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Angelica Pachycarpa (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
23. Outgoing r'ship FOUND_IN to/from Angelica Saxatilis (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
25. Outgoing r'ship FOUND_IN to/from Angelica Sylvestris (Plant) Rel Props:Reference:
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30. Outgoing r'ship FOUND_IN to/from Angelica Ursina (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Aquilaria Sinensis (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Betula Pubescens (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Bretschneidera Sinensis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Calystegia Pubescens (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Centaurea Iberica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886164
37. Outgoing r'ship FOUND_IN to/from Centrosema Pubescens (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Cephalotaxus Sinensis (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Chaenomeles Sinensis (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Cinchona Pubescens (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:
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47. Outgoing r'ship FOUND_IN to/from Dolichos Sinensis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Ehretia Pubescens (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Entada Gigas (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Epimedium Pubescens (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Euphorbia Pubescens (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Gleditsia Sinensis (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Haplophyllum Perforatum (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Holarrhena Pubescens (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Hyoscyamus Perforatum (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Hypericum Ancherii (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Hypericum Androsaemum (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Hypericum Annulatum (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Hypericum Ascyron (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Hypericum Aucheri (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Hypericum Balearicum (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Hypericum Calycinum (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Hypericum Caprifoliatum (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Hypericum Carinatum (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Hypericum Chinense (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Hypericum Choisianum (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Hypericum Degenii (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Hypericum Drummondii (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Hypericum Elodeoides (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Hypericum Erectum (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Hypericum Faberi (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Hypericum Foliosum (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Hypericum Geminiflorum (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Hypericum Henryi (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Hypericum Hirsutum (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Hypericum Hookerianum (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Hypericum Humifusum (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Hypericum Japonicum (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Hypericum Jovis (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Hypericum Laricifolium (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Hypericum Monanthemum (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Hypericum Monogynum (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Hypericum Mysorense (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Hypericum Mysurense (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Hypericum Oblongifolium (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Hypericum Olympicum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1521
87. Outgoing r'ship FOUND_IN to/from Hypericum Papuanum (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Hypericum Patulum (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
90. Outgoing r'ship FOUND_IN to/from Hypericum Polyanthemum (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Hypericum Prolificum (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Hypericum Reflexum (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Hypericum Reptans (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Hypericum Revolutum (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Hypericum Sampsonii (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Hypericum Scabrum (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Hypericum Sikokumontanum (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Hypericum Styphelioides (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Hypericum Triquetrifolium (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Hypericum Uralum (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Ilex Pubescens (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Incarvillea Sinensis (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Juglans Sinensis (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Kallstroemia Pubescens (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Metzgeria Pubescens (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Micromelum Pubescens (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Miliusa Sinensis (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Miscanthus Sinensis (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Morinda Pubescens (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Mussaenda Pubescens (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Neottia Sinensis (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Nymphaea Pubescens (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Nyssa Sinensis (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Otholobium Pubescens (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Peltogyne Pubescens (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Physalis Pubescens (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Pogostemon Pubescens (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Pseudotsuga Sinensis (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Saccharum Sinensis (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Scopolia Sinensis (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Selaginella Sinensis (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Siegesbeckia Orientalis (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Sigesbeckia Pubescens (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Solanum Pubescens (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Spiranthes Sinensis (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Swertia Pubescens (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Syringa Pubescens (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Tinospora Sinensis (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Toona Sinensis (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Vasconcellea Pubescens (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:

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2-Methyloctane

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Phytochemical Properties

Associated Connections 133

Plant Connections 133