3,3'-Di-tert-butylbiphenyldiquinone-(2,5,2',5')
Basic information
- CAS
14160-38-4- Standard SMILES
CC(C)(C)C1=CC(=O)C=C(C2=CC(=O)C=C(C(C)(C)C)C2=O)C1=O- InChIKey
UONJIDASBODQID-UHFFFAOYSA-N- Molecular formula
- C20H22O4
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.15180918
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3,3'-Di-tert-butylbiphenyldiquinone-(2,5,2',5')
- IUPAC
- 2-tert-butyl-6-(5-tert-butyl-3,6-dioxocyclohexa-1,4-dien-1-yl)cyclohexa-2,5-diene-1,4-dione
- English name
- 3,3'-di-tert-butylbiphenyldiquinone-(2,5,2',5')
- Molecular formula
- C20H22O4
- Molecular weight
- 326.39
Names & synonyms
14160-38-43,3'-Di-tert-butylbiphenyldiquinone-(2,5,2',5')DTXSID50161776(Bi-1,4-cyclohexadien-1-yl)-3,3',6,6'-tetrone, 5,5'-bis(1,1-dimethylethyl)-(BI-1,4-CYCLOHEXADIEN-1-YL)-3,3',6,6'-TETRONE, 5,5'-DI-tert-BUTYL-[Bi-1,4-cyclohexadien-1-yl]-3,3',6,6'-tetrone, 5,5'-di-tert-butyl-[Bi-1,4-cyclohexadien-1-yl]-3,3',6,6'-tetrone, 5,5'-bis(1,1-dimethylethyl)-BBDQRefChem:90665DTXCID10842673,3'-Di-tert-butyl-biphenyldiquinone-(2,5,2',5')CCRIS 1265
Show more names
BRN 25663165,5'-Di-tert-butyl-(bi-1,4-cyclohexadien-1-yl)-3,3',6,6'-tetroneS6PUP7GRN75,5'-Bis(1,1-dimethylethyl)-(bi-1,4-cyclohexadien-1-yl)-3,3'-6,6'-tetrone5,5'-Di-tert-butyl[1,1'-bi(cyclohexa-1,4-diene)]-3,3',6,6'-tetrone5,5'-Bis(1,1-dimethylethyl)[bi-1,4-cyclohexadien-1-yl]-3,3',6,6'-tetrone
Database identifiers
- CAS
14160-38-4- PubChem CID
- 26515
- DTXSID
DTXSID50161776
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 716
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Compound notes
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