Molecule ID: 88703

IUPAC Name: 2-hydroxy-2-methylpropanal

Description: The molecule is a hydroxyaldehyde that is isobutyraldehyde carrying a single hydroxy substituent at position 2. It has a role as a bacterial xenobiotic metabolite. It is a member of propanals, a hydroxyaldehyde and a tertiary alcohol. It derives from an isobutyraldehyde. It derives from a hydride of an isobutane.

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

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

InChI: InChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: -0.3