ISOVALERIC-ACID-ESTER

Structure

2D structure of ISOVALERIC-ACID-ESTER
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 11160

Names and identifiers

Name

ISOVALERIC-ACID-ESTER

IUPAC name

methyl 3-methylbutanoate

SMILES

CC(C)CC(=O)OC

General information

Molecular formula

C6H12O2

Molecular weight

116.16 g/mol

Monoisotopic mass

116.0837 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

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