3-HEXENYL-ESTER

Structure

2D structure of 3-HEXENYL-ESTER
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5352331

Names and identifiers

Name

3-HEXENYL-ESTER

IUPAC name

(E)-hex-3-en-1-yl butyrate

SMILES

CCCC(=O)OCC/C=C/CC

General information

Molecular formula

C10H18O2

Molecular weight

170.25 g/mol

Monoisotopic mass

170.1307 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Nepeta cataria L. - 18-155 ppm
Bourrel, C., Perineau, F., Michel, G., Bessiere, J.M. 1993. Catnip (Nepeta cataria L.) Essential Oil: Analysis of Chemical Constituents, Bacteriostatic and Fungistatic Properties. J. Ess. Oil Res., 5: 159-167.