Basic information
- CAS
86884-22-2- Standard SMILES
CC(C)C1CC(=O)CCC1=O- InChIKey
RJKFRVBEUGIIBP-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.09937969
Names & identifiers
- Preferred name
- 2-(1-Methylethyl)-1,4-cyclohexanedione
- IUPAC
- 2-propan-2-ylcyclohexane-1,4-dione
Names & synonyms
2-(1-Methylethyl)-1,4-cyclohexanedioneDTXSID3012965942-(Propan-2-yl)cyclohexane-1,4-dione86884-22-2
Database identifiers
- CAS
86884-22-2- PubChem CID
- 13086552
- DTXSID
DTXSID301296594
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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