Molecule ID: 24798717

IUPAC Name: 2-hydroxy-3-methylhexadecanoic acid

Description: The molecule is a branched, alpha-hydroxy fatty acid comprising a C16 chain carrying a methyl branch at position 3. It is a long-chain fatty acid, a 2-hydroxy fatty acid and a branched-chain fatty acid. It derives from a hexadecanoic acid.

SMILES: CCCCCCCCCCCCCC(C)C(O)C(=O)O

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

InChI: InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16(18)17(19)20/h15-16,18H,3-14H2,1-2H3,(H,19,20)

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 6.8