Summary

IMPPAT Phytochemical identifier: IMPHY007221

Phytochemical name: Methyl decanoate

Synonymous chemical names:
methyl decanoate, methyl caprate, methyl decanoate, methylcaprinate

External chemical identifiers:
CID:8050, ChEMBL:CHEMBL2137647, ChEBI:143577, ZINC:ZINC000001672809, FDASRS:U9L2W51J0B, SureChEMBL:SCHEMBL122955, MolPort-003-927-904

---

Chemical structure information

SMILES:
CCCCCCCCCC(=O)OC

InChI:
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3

InChIKey:
YRHYCMZPEVDGFQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC=O)OC

Functional groups:
COC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.37

---

Chemical structure download