HEXAN-2-ONE

Structure

2D structure of HEXAN-2-ONE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 11583

Names and identifiers

Name

HEXAN-2-ONE

IUPAC name

hexan-2-one

SMILES

CCCCC(=O)C

General information

Molecular formula

C6H12O

Molecular weight

100.16 g/mol

Monoisotopic mass

100.0888 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Trifolium pratense L. subsp. pratense flower -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.