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Methyl Tetradecanoate

PubChem CID: 31284

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Compound Synonyms Methyl tetradecanoate, METHYL MYRISTATE, 124-10-7, Tetradecanoic acid, methyl ester, Myristic acid methyl ester, Uniphat A50, Metholeneat 2495, Methyl n-tetradecanoate, Myristic acid, methyl ester, FEMA No. 2722, Methyl myristylate, MFCD00008983, formyl tetradecanoate, DTXSID5027019, UNII-RG9851783C, CHEBI:89199, HSDB 5602, Emery 2214, NSC 5029, NSC-5029, EINECS 204-680-1, C14 FAME, Acide myristique methyl ester, AI3-01980, DTXCID607019, METHYL MYRISTATE [FHFI], METHYL MYRISTATE [HSDB], Tetradecanoic Acid Methyl Ester, EC 204-680-1, METHYL MYRISTATE [USP-RS], WE(1:0/14:0), RG9851783C, METHYL MYRISTATE (USP-RS), tetradecanoic acid-methyl ester, Methyltetradecanoate, Methyl ntetradecanoate, Myristate methyl ester, Myristate, methyl ester, methyl tetradecanoic acid, Methyl N-tetradecanoic acid, Methyl myristate (Standard), Tetradecanoate, methyl ester, SCHEMBL158121, CHEMBL207549, METHYL MYRISTATE [INCI], Methyl myristate, >=98%, FG, MSK1812, NSC5029, Methyl myristate, >=99% (GC), HY-W004288R, Myristic acid, methyl ester (8CI), Tox21_200012, LMFA07010467, Methyl myristate, analytical standard, STL453780, AKOS004910358, 1ST1812, CS-W004288, FM65081, HY-W004288, NCGC00164312-01, NCGC00164312-02, NCGC00257566-01, CAS-124-10-7, DA-75480, Tetradecanoic acid methyl ester (FAME MIX), M0482, NS00002188, S0310, H10750, Q27161384, Methyl myristate, certified reference material, TraceCERT(R), F205A716-B088-445E-981A-7037783C0147, Methyl myristate, United States Pharmacopeia (USP) Reference Standard, 204-680-1
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Wax monoesters
Deep Smiles CCCCCCCCCCCCCC=O)OC
Heavy Atom Count 17.0
Classyfire Class Fatty acyls
Description Flavour ingredient
Classyfire Subclass Fatty acid esters
Isotope Atom Count 0.0
Molecular Complexity 166.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P11473, Q16236
Iupac Name methyl tetradecanoate
Prediction Hob 1.0
Class Fatty Acyls
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 6.8
Superclass Lipids and lipid-like molecules
Subclass Fatty acid esters
Gsk 4 400 Rule False
Molecular Formula C15H30O2
Prediction Swissadme 0.0
Inchi Key ZAZKJZBWRNNLDS-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.9333333333333332
Logs -6.188
Rotatable Bond Count 13.0
State Liquid
Logd 4.173
Synonyms Fatty acids, C10-16, Me esters, FEMA 2722, Metholeneat 2495, Methyl myristate, METHYL MYRISTATE, 99.5%, Methyl myristylate, Methyl n-tetradecanoate, Methyl tetradecanoate, Methyl tetradecanoic acid, Myristic acid methyl ester, Myristic acid, methyl ester, Myristic acid, methyl ester (8CI), Tetradecanoic acid, methyl ester, Uniphat A50, Methyl N-tetradecanoate, Uniphat a50, Methyl myristic acid, Methyl N-tetradecanoic acid, Myristate methyl ester, Myristate, methyl ester, Tetradecanoate, methyl ester, Myristic acid, methyl ester (8ci), C14-MES, Tetradecanoic acid methyl ester, Tetradecanoic acid methyl ester sodium salt, methyl myristate, methyl tetradecanoate, tetradecanoic acid, methyl ester
Substituent Name Fatty acid methyl ester, Methyl ester, Carboxylic acid ester, Monocarboxylic acid or derivatives, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound
Esol Class Moderately soluble
Functional Groups COC(C)=O
Compound Name Methyl Tetradecanoate
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 242.225
Formal Charge 0.0
Monoisotopic Mass 242.225
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 242.4
Gi Absorption True
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 -4.523198599999999
Inchi InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3
Smiles CCCCCCCCCCCCCC(=O)OC
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Fatty acid methyl esters
Np Classifier Superclass Fatty esters

  • 1. Outgoing r'ship FOUND_IN to/from Arnebia Euchroma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Arnebia Guttata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Bistorta Manshuriensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Bistorta Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Calendula Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9698610
  • 6. Outgoing r'ship FOUND_IN to/from Carica Papaya (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1248
  • 7. Outgoing r'ship FOUND_IN to/from Catharanthus Roseus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.958
  • 8. Outgoing r'ship FOUND_IN to/from Citrullus Lanatus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9698616
  • 9. Outgoing r'ship FOUND_IN to/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Coreopsis Tinctoria (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1510792
  • 11. Outgoing r'ship FOUND_IN to/from Crotalaria Juncea (Plant) Rel Props:Reference:ISBN:9788185042114
  • 12. Outgoing r'ship FOUND_IN to/from Crotalaria Retusa (Plant) Rel Props:Reference:ISBN:9788185042114
  • 13. Outgoing r'ship FOUND_IN to/from Dolichos Lablab (Plant) Rel Props:Source_db:npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Euphorbia Supina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Fritillaria Cirrhosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Garcinia Celebica (Plant) Rel Props:Source_db:npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Garcinia Dulcis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1187
  • 18. Outgoing r'ship FOUND_IN to/from Gmelina Arborea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Gypsophila Oldhamiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 21. Outgoing r'ship FOUND_IN to/from Hedychium Coronarium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060310
  • 22. Outgoing r'ship FOUND_IN to/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Iris Germanica (Plant) Rel Props:Reference:ISBN:9780387706375
  • 24. Outgoing r'ship FOUND_IN to/from Lindera Neesiana (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172362461
  • 25. Outgoing r'ship FOUND_IN to/from Lithospermum Erythrorhizon (Plant) Rel Props:Source_db:npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Magnolia Grandiflora (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644108
  • 28. Outgoing r'ship FOUND_IN to/from Mangifera Indica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1812
  • 29. Outgoing r'ship FOUND_IN to/from Murraya Paniculata (Plant) Rel Props:Reference:ISBN:9770972795006
  • 30. Outgoing r'ship FOUND_IN to/from Myristica Fragrans (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698679
  • 31. Outgoing r'ship FOUND_IN to/from Origanum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698679
  • 32. Outgoing r'ship FOUND_IN to/from Pachira Aquatica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1571950
  • 33. Outgoing r'ship FOUND_IN to/from Pandanus Odorifer (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1466
  • 34. Outgoing r'ship FOUND_IN to/from Rhododendron Mucronulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Rhododendron Simsii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 36. Outgoing r'ship FOUND_IN to/from Rosa Damascena (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1487
  • 37. Outgoing r'ship FOUND_IN to/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698933
  • 38. Outgoing r'ship FOUND_IN to/from Stephania Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 39. Outgoing r'ship FOUND_IN to/from Uvaria Narum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 40. Outgoing r'ship FOUND_IN to/from Viscum Album (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701029
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