Basic information
- Standard SMILES
CCOC(=O)CCC1(C(C)=O)CCCCC1=O- InChIKey
JCWMUVVZSJDCDI-UHFFFAOYSA-N- Molecular formula
- C13H20O4
- Average molar mass
- 240.29 g/mol
Names & identifiers
- Preferred name
- 2-Acetyl-2-[2-(ethoxycarbonyl)ethyl]cyclohexanone
- IUPAC
- ethyl 3-(1-acetyl-2-oxocyclohexyl)propanoate
Names & synonyms
SCHEMBL8572306JCWMUVVZSJDCDI-UHFFFAOYSA-N2-Acetyl-2-[2-(ethoxycarbonyl)ethyl]cyclohexanone2-acetyl-2-[2-(ethoxycarbonyl)ethyl]-cyclohexanone2-acetyl-2-[2-(ethoxycarbonyl)-ethyl]-cyclohexanone
Database identifiers
- PubChem CID
- 19067484
- Nikkaji
- J1.809.883K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 321
Related reactions
7 records
Compound notes
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