Molecule ID: 31256

IUPAC Name: 4-hydroxy-4-methylpentan-2-one

Description: The molecule is a beta-hydroxy ketone formed by hydroxylation of 4-methylpentan-2-one at the 4-position. It has been isolated from Achnatherum robustum. It has a role as a plant metabolite.

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

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

InChI: InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: -0.2