Basic information
- CAS
14106-40-2- Standard SMILES
CC(C)(C)C1=CC(=C=C=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O- InChIKey
XBVQJPOFNBYXMM-UHFFFAOYSA-N- Molecular formula
- C30H40O2
- Average molar mass
- 432.6 g/mol
- Monoisotopic mass
- 432.30283051
Names & identifiers
- Preferred name
- 2,5-Cyclohexadien-1-one, 4,4'-(1,2-ethenediylidene)bis(2,6-bis(1,1-dimethylethyl)-
- IUPAC
- 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethenylidene]cyclohexa-2,5-dien-1-one
- English name
- 4,4'-(Ethene-1,2-diylidene)bis(2,6-di-tert-butyl-2,5-cyclohexadiene-1-one)
- Molecular formula
- C30H40O2
- Molecular weight
- 432.65
Names & synonyms
2,5-Cyclohexadien-1-one, 4,4'-(1,2-ethenediylidene)bis[2,6-bis(1,1-dimethylethyl)-DTXSID20657054,4'-(1,2-Ethenediylidene)bis(2,6-bis(1,1-dimethylethyl)-2,5-cyclohexadien-1-one)2,5-Cyclohexadien-1-one, 4,4'-(1,2-ethenediylidene)bis(2,6-bis(1,1-dimethylethyl)-4,4'-(1,2-Ethenediylidene)bis[2,6-bis(1,1-dimethylethyl)-2,5-cyclohexadien-1-one]RefChem:247174DTXCID903457914106-40-2XBVQJPOFNBYXMM-UHFFFAOYSA-N2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethenylidene]cyclohexa-2,5-dien-1-one4,4'-(Ethene-1,2-diylidene)bis(2,6-di-tert-butylcyclohexa-2,5-dien-1-one)4,4'-(Ethene-1,2-diylidene)bis(2,6-di-tert-butyl-2,5-cyclohexadiene-1-one)
Database identifiers
- CAS
14106-40-2- PubChem CID
- 84200
- DTXSID
DTXSID2065705- Nikkaji
- J421.908B
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 909
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,5-Cyclohexadien-1-one, 4,4'-(1,2-ethenediylidene)bis[2,6-bis(1,1-dimethylethyl)- (14106-40-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,5-Cyclohexadien-1-one, 4,4'-(1,2-ethenediylidene)bis[2,6-bis(1,1-dimethylethyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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