Molecule ID: 20977167

IUPAC Name: 4,8-dimethylnonanoate

Description: The molecule is a branched-chain saturated fatty acid anion that is nonanoate with methyl branches at C-4 and C-8. Major species at pH 7.3. It is a branched-chain saturated fatty acid anion and a medium-chain fatty acid anion. It is a conjugate base of a 4,8-dimethylnonanoic acid.

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

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

InChI: InChI=1S/C11H22O2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h9-10H,4-8H2,1-3H3,(H,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 4.5