Molecule ID: 86290131

IUPAC Name: 16-hydroxy-3,7,11,15-tetramethylhexadecanoate

Description: The molecule is an omega-hydroxy fatty acid anion that is the conjugate base of omega-hydroxyphytanic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a hydroxy fatty acid anion, a methyl-branched fatty acid anion, a branched-chain saturated fatty acid anion and a long-chain fatty acid anion. It derives from a phytanate. It is a conjugate base of an omega-hydroxyphytanic acid.

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

SELFIES: [C][C][Branch1][Ring1][C][O][C][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C20H40O3/c1-16(10-6-12-18(3)14-20(22)23)8-5-9-17(2)11-7-13-19(4)15-21/h16-19,21H,5-15H2,1-4H3,(H,22,23)/p-1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 7.6