2,7-Dimethylbicyclo[3.2.1]oct-6-en-3-one
Basic information
- CAS
76779-13-0- Standard SMILES
CC1=CC2CC(=O)C(C)C1C2- InChIKey
SPTCQXAFSVTXMJ-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Names & identifiers
- Preferred name
- 2,7-Dimethylbicyclo[3.2.1]oct-6-en-3-one
- IUPAC
- 2,7-dimethylbicyclo[3.2.1]oct-6-en-3-one
Names & synonyms
76779-13-02,7-Dimethylbicyclo[3.2.1]oct-6-en-3-oneDTXSID50824354
Database identifiers
- CAS
76779-13-0- PubChem CID
- 71403444
- DTXSID
DTXSID50824354
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 227
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Compound notes
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