Basic information
- CAS
57234-58-9- Standard SMILES
O=C1C2CCC3C(CCCC13)C2- InChIKey
MPNWBTNWXJJXJE-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- 1,6-Methanonaphthalen-5(1H)-one, octahydro-
- IUPAC
- tricyclo[5.3.1.03,8]undecan-2-one
Names & synonyms
1,6-Methanonaphthalen-5(1H)-one, octahydro-57234-58-9Octahydro-1,6-methano-naphthalen-5-oneCHEMBL3276684DTXSID00333527Octahydro-1,6-methanonaphthalen-5(1H)-one
Database identifiers
- CAS
57234-58-9- PubChem CID
- 511457
- DTXSID
DTXSID00333527- ChEMBL
CHEMBL3276684
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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