Molecule ID: 119794

IUPAC Name: 1-O-ethyl 4-O-(3-methylbutyl) butanedioate

Description: The molecule is a dieter obtained by the forma condensation of the two carboxy groups of succinic acid with ethanol and 3-methylbutanol respectively. It has a role as a metabolite. It is a diester, a member of dicarboxylic acids and O-substituted derivatives and a succinate ester. It derives from a succinic acid.

SMILES: CCOC(=O)CCC(=O)OCCC(C)C

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

InChI: InChI=1S/C11H20O4/c1-4-14-10(12)5-6-11(13)15-8-7-9(2)3/h9H,4-8H2,1-3H3

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 2.5