(1R,5R)-Bicyclo(3.3.1)nonan-2-one
Basic information
- CAS
219945-61-6- Standard SMILES
O=C1CC[C@H]2CCC[C@@H]1C2- InChIKey
JTYKTCBMGNIYBC-HTQZYQBOSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.10446507
Names & identifiers
- Preferred name
- (1R,5R)-Bicyclo(3.3.1)nonan-2-one
- IUPAC
- (1R,5R)-bicyclo[3.3.1]nonan-2-one
Names & synonyms
(1R,5R)-Bicyclo[3.3.1]nonan-2-one219945-61-6(1R,5R)-Bicyclo(3.3.1)nonan-2-oneRefChem:205090DTXSID401300770
Database identifiers
- CAS
219945-61-6- PubChem CID
- 11126331
- DTXSID
DTXSID401300770- Nikkaji
- J1.018.368E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…