2,5-Bis(1,1-dimethylethyl)-3-phenyl-2,5-cyclohexadiene-1,4-dione
Basic information
- CAS
94041-21-1- Standard SMILES
CC(C)(C)C1=CC(=O)C(C(C)(C)C)=C(c2ccccc2)C1=O- InChIKey
ISPMFZRTCLYOJA-UHFFFAOYSA-N- Molecular formula
- C20H24O2
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.17763
Names & identifiers
- Preferred name
- 2,5-Bis(1,1-dimethylethyl)-3-phenyl-2,5-cyclohexadiene-1,4-dione
- IUPAC
- 2,5-ditert-butyl-3-phenylcyclohexa-2,5-diene-1,4-dione
Names & synonyms
94041-21-1RefChem:2470832,5-Bis(1,1-dimethylethyl)-3-phenyl-2,5-cyclohexadiene-1,4-dione3,6-Di-tert-butyl[1,1'-biphenyl]-2,5-dioneDTXSID60518116
Database identifiers
- CAS
94041-21-1- PubChem CID
- 13099366
- DTXSID
DTXSID60518116
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 541
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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