Summary

IMPPAT Phytochemical identifier: IMPHY006388

Phytochemical name: Ethyl octadec-2-enoate

Synonymous chemical names:
ethyl octadecenoate

External chemical identifiers:
CID:54003728

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC=CC(=O)OCC

InChI:
InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h18-19H,3-17H2,1-2H3

InChIKey:
KNJVPYFJAJRUJF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=CC=O)OCC

Functional groups:
CC=CC(=O)OC

---

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: 0.634

---

Chemical structure download