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Methyl Decanoate

PubChem CID: 8050

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Compound Synonyms METHYL DECANOATE, 110-42-9, Methyl caprate, Decanoic acid, methyl ester, Methyl caprinate, Capric acid methyl ester, Methyl-n-caprate, Uniphat A30, Metholene 2095, Methyl n-caprate, Methyl n-decanoate, Decanoic acid methyl ester, Methyl decanoate (natural), CCRIS 673, formyl decanoate, HSDB 5399, n-Capric acid methyl ester, NSC 3713, EINECS 203-766-6, UNII-U9L2W51J0B, BRN 1759170, DTXSID4026842, AI3-26168, DECANOIC ACID,METHYL ESTER, NSC-3713, decanoic acid-methyl ester, C10 FAME, DTXCID206842, U9L2W51J0B, METHYL DECANOATE [HSDB], METHYL CAPRATE [USP-RS], EC 203-766-6, WE(1:0/10:0), METHYL CAPRATE (USP-RS), Methyl Decanoate(Methyl Caprate), CAS-110-42-9, METHYLDECANOATE, Methylncaprate, Methyl caprate, Decanoic acid methyl ester, Methyl decanoate, Methyl ncaprate, Methyl ndecanoate, MFCD00009580, Methyl decanoate, 99%, SCHEMBL122955, CHEMBL2137647, Methyl decanoate, >=99%, FG, MSK1808, NSC3713, CHEBI:143577, AAA11042, Tox21_201757, Tox21_303060, LMFA07010454, Methyl decanoate, analytical standard, AKOS009157090, 1ST1808, CS-W016888, HY-W016172, NCGC00163977-01, NCGC00163977-02, NCGC00256929-01, NCGC00259306-01, BS-14441, Decanoic acid, methyl ester (FAME MIX), DB-003720, D0023, NS00007926, S0308, Q22808395, BB30D0E8-DD7E-4A77-9781-4C29389B3F24, Methyl caprate, United States Pharmacopeia (USP) Reference Standard
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 CCCCCCCCCC=O)OC
Heavy Atom Count 13.0
Classyfire Class Fatty acyls
Description Constituent of many plants.
Classyfire Subclass Fatty acid esters
Isotope Atom Count 0.0
Molecular Complexity 121.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q16236, O75762
Iupac Name methyl decanoate
Prediction Hob 1.0
Class Fatty Acyls
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 4.7
Superclass Lipids and lipid-like molecules
Subclass Fatty acid esters
Gsk 4 400 Rule True
Molecular Formula C11H22O2
Prediction Swissadme 0.0
Inchi Key YRHYCMZPEVDGFQ-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.9090909090909092
Logs -4.167
Rotatable Bond Count 9.0
State Liquid
Logd 3.523
Synonyms Capric acid methyl ester, Decanoic acid methyl ester, Decanoic acid, methyl ester, Decanoic acid,methyl ester, Metholene 2095, Methyl caprate, Methyl caprinate, Methyl decanoate, Methyl n-caprate, Methyl n-decanoate, Methyl-n-caprate, N-capric acid methyl ester, Uniphat A30, Methyl decanoic acid, Methyl N-caprate, Methyl N-decanoate, Methyl-N-caprate, N-Capric acid methyl ester, Uniphat a30, methyl decanoate, methyl caprate, methyl decanoate, methylcaprinate
Esol Class Soluble
Functional Groups COC(C)=O
Compound Name Methyl Decanoate
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 186.162
Formal Charge 0.0
Monoisotopic Mass 186.162
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 186.29
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 -3.179329
Inchi InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
Smiles CCCCCCCCCC(=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 Annona Montana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699846
  • 2. Outgoing r'ship FOUND_IN to/from Annona Muricata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699640
  • 3. Outgoing r'ship FOUND_IN to/from Arnebia Euchroma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Arnebia Guttata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Averrhoa Bilimbi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698710
  • 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 Chrysophyllum Cainito (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1116
  • 8. Outgoing r'ship FOUND_IN to/from Citrus Limon (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1456363
  • 9. Outgoing r'ship FOUND_IN to/from Citrus Maxima (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2011.9700445
  • 10. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643687
  • 11. Outgoing r'ship FOUND_IN to/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Eruca Vesicaria (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1883
  • 13. Outgoing r'ship FOUND_IN to/from Euphorbia Supina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Garcinia Celebica (Plant) Rel Props:Source_db:npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Garcinia Dulcis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1187
  • 16. Outgoing r'ship FOUND_IN to/from Gypsophila Oldhamiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Hedychium Coronarium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060310
  • 18. Outgoing r'ship FOUND_IN to/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Lindera Neesiana (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172362461
  • 21. Outgoing r'ship FOUND_IN to/from Lithospermum Erythrorhizon (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Magnolia Grandiflora (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644108
  • 23. Outgoing r'ship FOUND_IN to/from Mandragora Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700991
  • 24. Outgoing r'ship FOUND_IN to/from Morinda Citrifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643673
  • 25. Outgoing r'ship FOUND_IN to/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.12067128
  • 27. Outgoing r'ship FOUND_IN to/from Rosa Damascena (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1487
  • 28. Outgoing r'ship FOUND_IN to/from Schinus Molle (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700813
  • 29. Outgoing r'ship FOUND_IN to/from Stephania Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Tamarindus Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698731
  • 31. Outgoing r'ship FOUND_IN to/from Uvaria Narum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Viscum Album (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701029
  • 33. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3381
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