Molecule ID: 11271

IUPAC Name: 2,4-dimethylpentan-3-one

Description: The molecule is a pentanone that is pentan-3-one substituted by methyl groups at positions 2 and 4 respectively. It has a role as a metabolite. It derives from a pentan-3-one.

SMILES: CC(C)C(=O)C(C)C

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

InChI: InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 1.9