Basic information
- CAS
7511-47-9- Standard SMILES
CC(C)(C)CC(C)(C)C1=CC(=O)C=C(C(C)(C)CC(C)(C)C)C1=O- InChIKey
CJSZMZOBRUBEBO-UHFFFAOYSA-N- Molecular formula
- C22H36O2
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.27153039
Names & identifiers
- Preferred name
- Unii-6bru9mrs6M
- IUPAC
- 2,6-bis(2,4,4-trimethylpentan-2-yl)cyclohexa-2,5-diene-1,4-dione
- English name
- 2,5-bis(1,1,3,3-Tetramethylbutyl)-2,5-cyclohexadiene-1,4-dione
- Molecular formula
- C22H36O2
- Molecular weight
- 332.53
Names & synonyms
NSC 32206UNII-6BRU9MRS6MSCHEMBL11415221AI3-178842,5-DI-TERT-OCTYL-1,4-BENZOQUINONE2,5-Bis(1,1,3,3-tetramethylbutyl)-p-benzoquinone2,5-bis(1,1,3,3-Tetramethylbutyl)-2,5-cyclohexadiene-1,4-dione
Database identifiers
- CAS
7511-47-9- PubChem CID
- 82022
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 534
Physicochemical properties
- FDA UNII
- 6 BRU9MRS6M · 6BRU9MRS6M
- EPA Substance Registry System
- 2 · 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1,1,3,3-tetramethylbutyl)- (7511-47-9)
- 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
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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