Basic information
- CAS
82310-20-1- Standard SMILES
COC(=O)[C@@H]1[C@H]2CC(C)(C)C[C@H]2C2=CCC[C@@H]21- InChIKey
KQLGYRNZXQOJGK-CYDGBPFRSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- methyl (3bR,6aS,7R,7aR)-5,5-dimethyl-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[b]pentalene-7-carboxylate
- IUPAC
- methyl (3bR,6aS,7R,7aR)-5,5-dimethyl-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[b]pentalene-7-carboxylate
Names & synonyms
NSC36187782310-20-1DTXSID20320611NSC-361877Methyl (3aR,6aR,7R,7aS)-2,2-dimethyl-2,3,3a,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene-7-carboxylate
Database identifiers
- CAS
82310-20-1- PubChem CID
- 338652
- DTXSID
DTXSID20320611
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…