Summary

IMPPAT Phytochemical identifier: IMPHY016684

Phytochemical name: Hexenyl acetate

Synonymous chemical names:
hexenyl acetate

External chemical identifiers:
CID:122966

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Chemical structure information

SMILES:
CCCCC=COC(=O)C

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

InChIKey:
YDZCHDQXPLJVBG-UHFFFAOYSA-N

DeepSMILES:
CCCCC=COC=O)C

Functional groups:
CC=COC(C)=O

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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: 2.414

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Chemical structure download