Summary

IMPPAT Phytochemical identifier: IMPHY015871

Phytochemical name: Octyl formate

Synonymous chemical names:
octyl formate, octyl formate*

External chemical identifiers:
CID:8176, ChEBI:87496, ZINC:ZINC000001597281, FDASRS:2XZ47CUU7G, SureChEMBL:SCHEMBL79532

---

Chemical structure information

SMILES:
CCCCCCCCOC=O

InChI:
InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3

InChIKey:
AVBRYQRTMPHARE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCOC=O

Functional groups:
COC=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: 0.716

---

Chemical structure download