Molecule ID: 11747

IUPAC Name: pentane-2,3-dione

Description: The molecule is an alpha-diketone that is pentane substituted at the 2- and 3-positions by oxo groups. It has a role as a flavouring agent. It is an alpha-diketone and a methyl ketone. It derives from a hydride of a pentane.

SMILES: CCC(=O)C(C)=O

SELFIES: [C][C][C][=Branch1][C][=O][C][Branch1][C][C][=O]

InChI: InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3

Molecular Properties:
- Polar Surface Area: 34.1 Ų
- LogP: 0.1