Molecule ID: 10012374

IUPAC Name: ethyl 3,3,4-trimethylpentanoate

Description: The molecule is a carboxylic ester obtained by the formal condensation of the carboy group of 3,3,4-trimethylpentanoic acid with ethanol. It has a role as a metabolite.

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

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

InChI: InChI=1S/C10H20O2/c1-6-12-9(11)7-10(4,5)8(2)3/h8H,6-7H2,1-5H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 2.9