3,5-Bis(2-methylpropyl)cyclohexane-1,2-dione
Basic information
- CAS
5435-95-0- Standard SMILES
CC(C)CC1CC(=O)C(=O)C(CC(C)C)C1- InChIKey
YCICYKYPPBIUMJ-UHFFFAOYSA-N- Molecular formula
- C14H24O2
- Average molar mass
- 224.34 g/mol
- Monoisotopic mass
- 224.17763
Names & identifiers
- Preferred name
- 3,5-Bis(2-methylpropyl)cyclohexane-1,2-dione
- IUPAC
- 3,5-bis(2-methylpropyl)cyclohexane-1,2-dione
Names & synonyms
5435-95-03,5-bis(2-methylpropyl)cyclohexane-1,2-dioneNSC21384SCHEMBL30835561DTXSID00281357NSC-21384
Database identifiers
- CAS
5435-95-0- PubChem CID
- 228447
- DTXSID
DTXSID00281357
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…