Summary

IMPPAT Phytochemical identifier: IMPHY017922

Phytochemical name: 4-Hexenyl acetate

Synonymous chemical names:
4-hexenyl acetate

Chemical structure information

SMILES:
CC=CCCCOC(=O)C

InChI:
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h3-4H,5-7H2,1-2H3

InChIKey:
SXIMDPDAXHQFFD-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCOC=O)C

Functional groups:
CC=CC, 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: 1.799

---

Chemical structure download