2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione
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Basic information
- CAS
57293-98-8- Standard SMILES
CCC(O)=C1C(=O)CC(C)(C)CC1=O- InChIKey
IJQYWPDHEUYBBK-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.10994437
Names & identifiers
- Preferred name
- 2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione
- IUPAC
- 2-(1-hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione
Names & synonyms
NSC35387457293-98-82-(1-hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dioneSCHEMBL11072429SCHEMBL13890827DTXSID30320026REBIMNIGFVPZOI-UHFFFAOYSA-NNSC-3538745,5-dimethyl-3-hydroxy-2-propionylcyclohex-2-en-1-one
Database identifiers
- CAS
57293-98-8- PubChem CID
- 337109
- DTXSID
DTXSID30320026- Nikkaji
- J1.364.652J、J938.222D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 288
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Compound notes
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