Summary

IMPPAT Phytochemical identifier: IMPHY016608

Phytochemical name: Decyl propionate

Synonymous chemical names:
decyl propionate

External chemical identifiers:
CID:229385, ZINC:ZINC000001848561, FDASRS:MM6960IBE0, SureChEMBL:SCHEMBL1052250

---

Chemical structure information

SMILES:
CCCCCCCCCCOC(=O)CC

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

InChIKey:
HUOYUOXEIKDMFT-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCOC=O)CC

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 alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.248

---

Chemical structure download