Summary

IMPPAT Phytochemical identifier: IMPHY017926

Phytochemical name: Hexenylisopentanoate

Synonymous chemical names:
hexenylisopentanoate

Chemical structure information

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

InChI:
InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h7-8,10H,4-6,9H2,1-3H3

InChIKey:
VDCZNJPCWOXBSP-UHFFFAOYSA-N

DeepSMILES:
CCCCC=COC=O)CCC)C

Functional groups:
CC=COC(C)=O

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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: 1.744

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Chemical structure download