6,7,7-Trimethoxybicyclo[4.2.0]octan-2-one
Basic information
- CAS
33148-34-4- Standard SMILES
COC1(OC)CC2C(=O)CCCC21OC- InChIKey
FRIAFSFKZSQGEX-UHFFFAOYSA-N- Molecular formula
- C11H18O4
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.12050905
Names & identifiers
- Preferred name
- 6,7,7-Trimethoxybicyclo[4.2.0]octan-2-one
- IUPAC
- 6,7,7-trimethoxybicyclo[4.2.0]octan-2-one
Names & synonyms
33148-34-46,7,7-Trimethoxybicyclo[4.2.0]octan-2-oneNSC177441NSC 1774416,7,7-Trimethoxybicyclo(4.2.0)octan-2-oneDTXSID30954769NSC-177441
Database identifiers
- CAS
33148-34-4- PubChem CID
- 301155
- DTXSID
DTXSID30954769
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 272
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Compound notes
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