2,6-Di-tert-butyl-4-(diphenylmethylene)-2,5-cyclohexadien-1-one
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Basic information
- CAS
13131-76-5- Standard SMILES
CC(C)(C)C1=CC(=C(c2ccccc2)c2ccccc2)C=C(C(C)(C)C)C1=O- InChIKey
YYCJKXQRAPJWCE-UHFFFAOYSA-N- Molecular formula
- C27H30O
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.22966558
Names & identifiers
- Preferred name
- 2,6-Di-tert-butyl-4-(diphenylmethylene)-2,5-cyclohexadien-1-one
- IUPAC
- 4-benzhydrylidene-2,6-ditert-butylcyclohexa-2,5-dien-1-one
- English name
- 1-Isobutyl-3,5-dimethylcyclohexane
- Molecular formula
- C27H30O
- Molecular weight
- 370.53
Names & synonyms
13131-76-52,6-Di-tert-butyl-4-(diphenylmethylene)-2,5-cyclohexadien-1-one6NYI85X1G0NSC81685NSC 81685UNII-6NYI85X1G0NSC-816852,6-Ditertiarybutylfuchsone2,6-Ditertiarybutyl-4-(diphenylmethylene)-cyclohexa-2,5-dienone4-benzhydrylidene-2,6-ditert-butylcyclohexa-2,5-dien-1-oneYYCJKXQRAPJWCE-UHFFFAOYSA-NNCIOpen2_009162
Show more names
2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(diphenylmethylene)-
SCHEMBL31729517DTXSID801569981-Isobutyl-3,5-dimethylcyclohexane2,6-di-tert-butyl-4-(diphenylmethylidene)cyclohexa-2,5-dien-1-oneMFCD00514853AKOS0017139764-benzhydrylidene-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one2,6-Ditert-butyl-4-(diphenylmethylene)-2,5-cyclohexadien-1-one #
Database identifiers
- CAS
13131-76-5- PubChem CID
- 255807
- DTXSID
DTXSID80156998- UNII
- 6NYI85X1G0
- Nikkaji
- J2.112.392G
Properties
Computed structural propertiesFilling in
- XLogP
- 7.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 619
Physicochemical properties
- Boiling point
- 510.9 · 510.9±50.0 °C(Predicted)
- Density
- 1.051 · 1.051±0.06 g/cm3(Predicted)
- FDA UNII
- 6 NYI85X1G0 · 6NYI85X1G0
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Compound notes
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