Basic information
- CAS
5457-60-3- Standard SMILES
CC(C)(C)C1=CC(Cl)(C(C)(C)C)C=C(C(C)(C)C)C1=O- InChIKey
NEQLTAGYGHWRSY-UHFFFAOYSA-N- Molecular formula
- C18H29ClO
- Average molar mass
- 296.9 g/mol
- Monoisotopic mass
- 296.1906932
Names & identifiers
- Preferred name
- 2,4,6-Tri-tert-butyl-4-chlorocyclohexa-2,5-dien-1-one
- IUPAC
- 2,4,6-tritert-butyl-4-chlorocyclohexa-2,5-dien-1-one
- English name
- 4-chloro-2,4,6-tritert-butyl-cyclohexa-2,5-dien-1-one
- Molecular formula
- C18H29ClO
- Molecular weight
- 296.88
Names & synonyms
5457-60-3DTXSID502820162,4,6-Tri-tert-butyl-4-chlorocyclohexa-2,5-dien-1-oneRefChem:245712DTXCID60233170NSC23831NSC-238312, 2,4,6-tri-tert-butyl-4-chloro-2, 4-chloro-2,4,6-tris(1,1-dimethylethyl)-4-chloro-2,4,6-tri-t-butylcyclohexadien-2,5-one4-chloro-2,4,6-tritert-butyl-cyclohexa-2,5-dien-1-one2,5-Cyclohexadien-1-one, 4-chloro-2,4,6-tris(1,1-dimethylethyl)-
Database identifiers
- CAS
5457-60-3- PubChem CID
- 229830
- DTXSID
DTXSID50282016
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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