Bicyclo(3.3.1)nonane-2,4-dione, 9,9-dimethoxy-
Basic information
- CAS
117132-08-8- Standard SMILES
COC1(OC)C2CCCC1C(=O)CC2=O- InChIKey
CFBRRDQMCNWXLH-UHFFFAOYSA-N- Molecular formula
- C11H16O4
- Average molar mass
- 212.24 g/mol
- Monoisotopic mass
- 212.10485899
Names & identifiers
- Preferred name
- Bicyclo(3.3.1)nonane-2,4-dione, 9,9-dimethoxy-
- IUPAC
- 9,9-dimethoxybicyclo[3.3.1]nonane-2,4-dione
Names & synonyms
117132-08-8Bicyclo[3.3.1]nonane-2,4-dione, 9,9-dimethoxy-DTXSID50336922Bicyclo(3.3.1)nonane-2,4-dione, 9,9-dimethoxy-RefChem:1079807DTXCID702880109,9-Dimethoxybicyclo[3.3.1]nonane-2,4-dione9,9-Dimethoxybicyclo[3.3.1]nona-2,4-dioneCFBRRDQMCNWXLH-UHFFFAOYSA-N9,9-Dimethoxybicyclo[3.3.1]nonane-2,4-dione #
Database identifiers
- CAS
117132-08-8- PubChem CID
- 537288
- DTXSID
DTXSID50336922
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 269
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Compound notes
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