Summary

IMPPAT Phytochemical identifier: IMPHY017731

Phytochemical name: Hexenyl 2-methylbutanoate

Synonymous chemical names:
hexenyl-2-methyl butanoate

External chemical identifiers:
CID:76552389

---

Chemical structure information

SMILES:
CCCCC=COC(=O)C(CC)C

InChI:
InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h8-10H,4-7H2,1-3H3

InChIKey:
UYOWSPACKJLYKD-UHFFFAOYSA-N

DeepSMILES:
CCCCC=COC=O)CCC))C

Functional groups:
CC=COC(C)=O

---

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: 1.785

---

Chemical structure download