Basic information
- CAS
52999-01-6- Standard SMILES
CC1(C)C(=O)C(C)(C)C(C)(C)C(=O)C1(C)C- InChIKey
WQILANRBLWDSOI-UHFFFAOYSA-N- Molecular formula
- C14H24O2
- Average molar mass
- 224.34 g/mol
- Monoisotopic mass
- 224.17763
Names & identifiers
- Preferred name
- 2,2,3,3,5,5,6,6-Octamethylcyclohexane-1,4-dione
- IUPAC
- 2,2,3,3,5,5,6,6-octamethylcyclohexane-1,4-dione
Names & synonyms
2,2,3,3,5,5,6,6-Octamethylcyclohexane-1,4-dione52999-01-6DTXSID20788833RefChem:242712DTXCID10739576octamethyl-1,4-cyclohexanedioneSCHEMBL15659901
Database identifiers
- CAS
52999-01-6- PubChem CID
- 71365415
- DTXSID
DTXSID20788833
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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