Summary

IMPPAT Phytochemical identifier: IMPHY005992

Phytochemical name: (Z)-Hex-2-enyl acetate

Synonymous chemical names:
(e)-2-hexenyl acetate, (z)-2-hexenyl acetate, e-2-hexenyl acetate

External chemical identifiers:
CID:5363374, ZINC:ZINC000020230653, FDASRS:PT792BQ57D, SureChEMBL:SCHEMBL891744

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Chemical structure information

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

InChI:
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5-

InChIKey:
HRHOWZHRCRZVCU-WAYWQWQTSA-N

DeepSMILES:
CCC/C=CCOC=O)C

Functional groups:
C/C=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: 1.683

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Chemical structure download