4-Bromo-2,6-di-tert-butyl-4-methylcyclohexa-2,5-dien-1-one
Basic information
- CAS
1669-36-9- Standard SMILES
CC1(Br)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1- InChIKey
ZGVYNOZZVZIHAO-UHFFFAOYSA-N- Molecular formula
- C15H23BrO
- Average molar mass
- 299.25 g/mol
- Monoisotopic mass
- 298.09323
Names & identifiers
- Preferred name
- 4-Bromo-2,6-di-tert-butyl-4-methylcyclohexa-2,5-dien-1-one
- IUPAC
- 4-bromo-2,6-ditert-butyl-4-methylcyclohexa-2,5-dien-1-one
Names & synonyms
1669-36-94-Bromo-2,6-di-tert-butyl-4-methylcyclohexa-2,5-dien-1-oneDTXSID00500510RefChem:290593DTXCID904513204-bromo-4-methyl-2,6-di-t-butyl-2,5-cyclohexadienone
Database identifiers
- CAS
1669-36-9- PubChem CID
- 12499754
- DTXSID
DTXSID00500510- Nikkaji
- J464.084E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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