Basic information
- CAS
81930-38-3- Standard SMILES
CC(=O)C1C(=O)CC(C)CC1=O- InChIKey
RUOLGPCSCIUTDG-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- 2-Acetyl-5-methylcyclohexane-1,3-dione
- IUPAC
- 2-acetyl-5-methylcyclohexane-1,3-dione
Names & synonyms
2-acetyl-5-methylcyclohexane-1,3-dione81930-38-32-ACETYL-5-METHYL-1,3-CYCLOHEXANEDIONESCHEMBL4264381DTXSID50512340RUOLGPCSCIUTDG-UHFFFAOYSA-NAKOS006294843CS-0227444EN300-1125849
Database identifiers
- CAS
81930-38-3- PubChem CID
- 12886830
- DTXSID
DTXSID50512340- Nikkaji
- J3.696.977F
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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