Molecule ID: 25245825

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

Description: The molecule is a germacrane sesquiterpenoid derived from germacrane by dehydrogenation between the 1-10, 4-5, and 11-13 positions, and by oxidation of the methyl group at position 12 to the corresponding carboxylic acid. It is a monocarboxylic acid and a germacrane sesquiterpenoid. It is a conjugate acid of a germacra-1(10),4,11(13)-trien-12-oate.

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][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)/b11-5+,12-8+/t14-/m1/s1

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 3.3