Molecule ID: 45259182

IUPAC Name: 3,7,11,15-tetramethyl-2-oxohexadecanoate

Description: The molecule is conjugate base of 2-oxophytanic acid. It is a 2-oxo monocarboxylic acid anion and a long-chain fatty acid anion. It derives from a hexadecanoic acid and a hexadecanoate. It is a conjugate base of a 2-oxophytanic acid.

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

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

InChI: InChI=1S/C20H38O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-18H,6-14H2,1-5H3,(H,22,23)/p-1

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 8.4