(1R,6R)-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
Basic information
- CAS
1027239-71-9- Standard SMILES
CC1(C)CC(=O)[C@@H]2O[C@]2(C)C1- InChIKey
ROTNQFPVXVZSRL-IONNQARKSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.09937969
Names & identifiers
- Preferred name
- (1R,6R)-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
- IUPAC
- (1R,6R)-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
Names & synonyms
(1R,6R)-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-oneIsophorone oxide, (+)-KJ92LN9GALSCHEMBL129164657-Oxabicyclo[4.1.0]heptan-2-one, 4,4,6-trimethyl-, (1R,6R)-1027239-71-9
Database identifiers
- CAS
1027239-71-9- PubChem CID
- 642886
- UNII
- KJ92LN9GAL
- Nikkaji
- J1.674.781E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 29.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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