Molecule ID: 86851

IUPAC Name: 3-methylbutyl 2-hydroxypropanoate

Description: The molecule is a carboxylic ester obtained by the formal condensation of the carboxy group of 2-hydroxypropanoic acid with the hydroxy group of isoamylol. It has a role as a metabolite. It derives from an isoamylol and a 2-hydroxypropanoic acid.

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

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

InChI: InChI=1S/C8H16O3/c1-6(2)4-5-11-8(10)7(3)9/h6-7,9H,4-5H2,1-3H3

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 1.6