Summary

IMPPAT Phytochemical identifier: IMPHY016830

Phytochemical name: Propyl decanoate

Synonymous chemical names:
propyl decanoate

External chemical identifiers:
CID:121739, ChEBI:86973, ZINC:ZINC000002516185, FDASRS:S0HE9GRS1W, SureChEMBL:SCHEMBL333896

---

Chemical structure information

SMILES:
CCCCCCCCCC(=O)OCCC

InChI:
InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h3-12H2,1-2H3

InChIKey:
OVFMRFMJVFDSAA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC=O)OCCC

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: 0.152

---

Chemical structure download