(1R,5S)-1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one
Basic information
- CAS
30860-35-6- Standard SMILES
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)OC2- InChIKey
RRAKNOYKYSYKGN-XCBNKYQSSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- (1R,5S)-1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one
- IUPAC
- (1R,5S)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
Names & synonyms
30860-35-6(1R,5S)-1,8,8-TRIMETHYL-3-OXABICYCLO[3.2.1]OCTAN-2-ONEZINC03845949DTXSID50427581
Database identifiers
- CAS
30860-35-6- PubChem CID
- 7054028
- DTXSID
DTXSID50427581
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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