OCTYLISOBUTYRATE

Structure

2D structure of OCTYLISOBUTYRATE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 79545

Names and identifiers

Name

OCTYLISOBUTYRATE

IUPAC name

octyl pentanoate

SMILES

CCCCCCCCOC(=O)CCCC

General information

Molecular formula

C13H26O2

Molecular weight

214.35 g/mol

Monoisotopic mass

214.1933 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.