PENTYLISOBUTYRATE

Structure

2D structure of PENTYLISOBUTYRATE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 75554

Names and identifiers

Name

PENTYLISOBUTYRATE

IUPAC name

pentyl isobutyrate

SMILES

CC(C(OCCCCC)=O)C

General information

Molecular formula

C9H18O2

Molecular weight

158.24 g/mol

Monoisotopic mass

158.1307 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Humulus lupulus L. essential oil -
List, P.H. and Horhammer, L., Hager's Handbuch der Pharmazeutischen Praxis, Vols. 2-6, Springer-Verlag, Berlin, 1969-1979.