Ethyl 6,6-dimethyl-2-oxobicyclo[3.1.1]heptane-3-carboxylate
Basic information
- CAS
77940-99-9- Standard SMILES
CCOC(=O)C1CC2CC(C1=O)C2(C)C- InChIKey
AIFUJOZBCJJFNU-UHFFFAOYSA-N- Molecular formula
- C12H18O3
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.12559443
Names & identifiers
- Preferred name
- Ethyl 6,6-dimethyl-2-oxobicyclo[3.1.1]heptane-3-carboxylate
- IUPAC
- ethyl 6,6-dimethyl-2-oxobicyclo[3.1.1]heptane-3-carboxylate
Names & synonyms
77940-99-9NSC2510016, ETHYL ESTERDTXSID60312176ETHYL 6,6-DIMETHYL-2-OXOBICYCLO[3.1.1]HEPTANE-3-CARBOXYLATEAG-H-12663NSC-251001
Database identifiers
- CAS
77940-99-9- PubChem CID
- 317698
- DTXSID
DTXSID60312176
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 306
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Compound notes
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