Cas no 25543-57-1 (2-Tert-Butyl-6-methyl-1,4-benzoquinone)
25543-57-1 structure
Product Name:2-Tert-Butyl-6-methyl-1,4-benzoquinone
CAS No:25543-57-1
MF:C11H14O2
MW:178.227663516998
CID:259483
PubChem ID:11844847
Update Time:2024-03-01
2-Tert-Butyl-6-methyl-1,4-benzoquinone Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione,2-(1,1-dimethylethyl)-6-methyl-
- 2-tert-butyl-6-methyl-1,4-benzoquinone
- 2-Methyl-6-tert-butyl-1,4-benzoquinone
- 2-tert-Butyl-6-methyl-p-benzoquinone
- 6-tert-Butyl-2-methyl-1,4-benzoquinone
- p-Benzoquinone,2-tert-butyl-6-methyl- (8CI)
- 2-TERT-BUTYL-6-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE
- 2-Tert-Butyl-6-methyl-1,4-benzoquinone
-
- Inchi： 1S/C11H14O2/c1-7-5-8(12)6-9(10(7)13)11(2,3)4/h5-6H,1-4H3
- InChI Key： NPGZGVPKRJYKCI-UHFFFAOYSA-N
- SMILES： O=C1C(C)=CC(C=C1C(C)(C)C)=O
Computed Properties
- Exact Mass: 178.099379685g/mol
- Monoisotopic Mass: 178.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 325
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 34.1
2-Tert-Butyl-6-methyl-1,4-benzoquinone Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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