Diethyl 2-oxocyclohexane-1,1-dicarboxylate
Basic information
- CAS
2969-93-9- Standard SMILES
CCOC(=O)C1(C(=O)OCC)CCCCC1=O- InChIKey
WFFNBDLXWJGXCK-UHFFFAOYSA-N- Molecular formula
- C12H18O5
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.11542367
Names & identifiers
- Preferred name
- Diethyl 2-oxocyclohexane-1,1-dicarboxylate
- IUPAC
- diethyl 2-oxocyclohexane-1,1-dicarboxylate
Names & synonyms
2969-93-9diethyl 2-oxocyclohexane-1,1-dicarboxylateNSC122332,2-dicarbethoxycyclohexanone2,2-dicarbethoxy-cyclohexanoneSCHEMBL1577155DTXSID80279313WFFNBDLXWJGXCK-UHFFFAOYSA-N1,1-Cyclohexanedicarboxylicacid, 2-oxo-, 1,1-diethyl esterNSC-12233DS-008156
Database identifiers
- CAS
2969-93-9- PubChem CID
- 224023
- DTXSID
DTXSID80279313- Nikkaji
- J1.161.544I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
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Related reactions
2 records
Compound notes
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