Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018199

Phytochemical name: [(E)-hex-4-enyl] acetate

Synonymous chemical names:
[(E)-hex-4-enyl] acetate

External chemical identifiers:
CID:CID_5365607

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Chemical structure information

SMILES:
C/C=C/CCCOC(=O)C

InChI:
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h3-4H,5-7H2,1-2H3/b4-3+

InChIKey:
SXIMDPDAXHQFFD-ONEGZZNKSA-N

DeepSMILES:
C/C=C/CCCOC=O)C

Functional groups:
C/C=C/C, 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: 1.799

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Chemical structure download