Basic information
- Standard SMILES
CC1CC(=O)CC(=O)C1(C)C- InChIKey
UUWFJDWDSOYOGF-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
Names & identifiers
- Preferred name
- 4,4,5-Trimethyl-cyclohexane-1,3-dione
- IUPAC
- 4,4,5-trimethylcyclohexane-1,3-dione
Names & synonyms
SCHEMBL9761757UUWFJDWDSOYOGF-UHFFFAOYSA-N4,4,5-trimethyl-cyclohexane-1,3-dione
Database identifiers
- PubChem CID
- 14823735
- Nikkaji
- J1.684.721F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 204
Related reactions
2 records
Compound notes
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