Basic information
- Standard SMILES
CC1=C(C)C[C@H]2C(=O)CC(=O)[C@H]2C1- InChIKey
WPAHISKGROKAFZ-DTORHVGOSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
Names & identifiers
- Preferred name
- 5,6-Dimethyl cis-3a,4,7,7a-tetrahydroindane-1,3-dione
- IUPAC
- (3aS,7aR)-5,6-dimethyl-3a,4,7,7a-tetrahydroindene-1,3-dione
Names & synonyms
WPAHISKGROKAFZ-DTORHVGOSA-N5,6-Dimethyl cis-3a,4,7,7a-tetrahydroindane-1,3-dione
Database identifiers
- PubChem CID
- 13587178
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 282
Related reactions
1 records
Compound notes
Loading…