Summary

IMPPAT Phytochemical identifier: IMPHY017404

Phytochemical name: Ethyl trans-2-hexenoate

Synonymous chemical names:
ethyl (e)-2-hexenoate, ethyl (e)-hex-2-enoate, ethyl hex-2-enoate, ethyl(e)-hex-2-enoate

External chemical identifiers:
CID:5364778, ZINC:ZINC000002384556, FDASRS:OL4EUZ6C13, SureChEMBL:SCHEMBL755909, MolPort-006-109-345

---

Chemical structure information

SMILES:
CCC/C=C/C(=O)OCC

InChI:
InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3/b7-6+

InChIKey:
SJRXWMQZUAOMRJ-VOTSOKGWSA-N

DeepSMILES:
CCC/C=C/C=O)OCC

Functional groups:
C/C=C/C(=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: 0.891

---

Chemical structure download