2-METHYL-BUTYL-ISOVALERATE

Structure

2D structure of 2-METHYL-BUTYL-ISOVALERATE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 18757746

Names and identifiers

Name

2-METHYL-BUTYL-ISOVALERATE

IUPAC name

isopentyl 2,3-dimethylbutanoate

SMILES

CC(C(C(=O)OCCC(C)C)C)C

General information

Molecular formula

C11H22O2

Molecular weight

186.30 g/mol

Monoisotopic mass

186.1620 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.
Mentha spicata L. essential oil -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Mentha spicata L. leaf -
Duke, J. A. Writeups or information summaries on approximately 2,000 economic plants, USDA, ARS, Beltsville, MD 20705.