Summary

IMPPAT Phytochemical identifier: IMPHY010001

Phytochemical name: Isoamyl propionate

Synonymous chemical names:
isoamyl propionate, isopentyl propanoate

External chemical identifiers:
CID:7772, ChEBI:87419, ZINC:ZINC000001586316, FDASRS:2A8739M82Z, SureChEMBL:SCHEMBL126952, MolPort-003-959-960

---

Chemical structure information

SMILES:
CCC(=O)OCCC(C)C

InChI:
InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3

InChIKey:
XAOGXQMKWQFZEM-UHFFFAOYSA-N

DeepSMILES:
CCC=O)OCCCC)C

Functional groups:
COC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.229

---

Chemical structure download