Molecule ID: 25245824

IUPAC Name: 2-[(1R,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoate

Description: The molecule is a monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of germacra-1(10),4,11(13)-trien-12-oic acid. It is a conjugate base of a germacra-1(10),4,11(13)-trien-12-oic acid.

SMILES: C=C(C(=O)[O-])[C@H]1C/C=C(\C)CC/C=C(\C)CC1

SELFIES: [C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C@H1][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][Ring1][N]

InChI: InChI=1S/C15H22O2/c1-11-5-4-6-12(2)8-10-14(9-7-11)13(3)15(16)17/h5,8,14H,3-4,6-7,9-10H2,1-2H3,(H,16,17)/p-1/b11-5+,12-8+/t14-/m1/s1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 4.0