Molecule ID: 53436705

IUPAC Name: 2,6-dimethylheptanoate

Description: The molecule is a methyl-branched fatty acid anion that is the conjugate base of 2,6-dimethylheptanoic acid, arising from the deprotonation of the carboxy group. It is a methyl-branched fatty acid anion and a medium-chain fatty acid anion. It is a conjugate base of a 2,6-dimethylheptanoic acid.

SMILES: CC(C)CCCC(C)C(=O)[O-]

SELFIES: [C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C9H18O2/c1-7(2)5-4-6-8(3)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)/p-1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 3.7