Molecule ID: 70678937

IUPAC Name: (1S,2R,5R,8S,9R)-9-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylate

Description: The molecule is a hydroxy monocarboxylic acid anion that is the conjugate base of pentalenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a pentalenic acid.

SMILES: C[C@@H]1CC[C@H]2C(C(=O)[O-])=C[C@@H]3[C@@H](O)C(C)(C)C[C@@]132

SELFIES: [C][C@@H1][C][C][C@H1][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][C@@H1][C@@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C@@][Ring1][P][Ring1][Branch2][Ring1][=C]

InChI: InChI=1S/C15H22O3/c1-8-4-5-10-9(13(17)18)6-11-12(16)14(2,3)7-15(8,10)11/h6,8,10-12,16H,4-5,7H2,1-3H3,(H,17,18)/p-1/t8-,10+,11-,12-,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 3.3