Molecule ID: 21895630

IUPAC Name: (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate

Description: The molecule is a polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of (2E,6E)-farnesoic acid; major species at pH 7.3. It is a polyunsaturated fatty acid anion and a methyl-branched fatty acid anion. It is a conjugate base of a (2E,6E)-farnesoic acid.

SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/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][=Branch1][C][=O][O-1]

InChI: InChI=1S/C15H24O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,11H,5-6,8,10H2,1-4H3,(H,16,17)/p-1/b13-9+,14-11+

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 5.6