Molecule ID: 656825

IUPAC Name: 2-methoxyhexadecanoic acid

Description: The molecule is a long chain fatty acid consisting of hexadecanoic (palmitic) acid carrying a methoxy substituent at position 2; naturally occurring only in the phospholipids of sponges. It derives from a hexadecanoic acid.

SMILES: CCCCCCCCCCCCCCC(OC)C(=O)O

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

InChI: InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 6.9