Basic information
- CAS
85696-89-5- Standard SMILES
CCOC(=O)C12CCC(C1=O)C(C)(O)CC2- InChIKey
GCHRAWHFNZSRHW-UHFFFAOYSA-N- Molecular formula
- C12H18O4
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.12050905
Names & identifiers
- Preferred name
- Ethyl 4-hydroxy-4-methyl-8-oxobicyclo[3.2.1]octane-1-carboxylate
- IUPAC
- ethyl 4-hydroxy-4-methyl-8-oxobicyclo[3.2.1]octane-1-carboxylate
Names & synonyms
85696-89-5ethyl 4-hydroxy-4-methyl-8-oxobicyclo[3.2.1]octane-1-carboxylateNSC148885DTXSID20302114NSC-148885
Database identifiers
- CAS
85696-89-5- PubChem CID
- 288153
- DTXSID
DTXSID20302114
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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