Cas no 53918-50-6 (1,4-Benzenediol, 2-(1,1-dimethylbutyl)-)
53918-50-6 structure
Product Name:1,4-Benzenediol, 2-(1,1-dimethylbutyl)-
CAS No:53918-50-6
MF:C12H18O2
MW:194.270123958588
CID:356064
PubChem ID:59639053
Update Time:2025-04-19
1,4-Benzenediol, 2-(1,1-dimethylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenediol, 2-(1,1-dimethylbutyl)-
- 2-(2-methylpentan-2-yl)benzene-1,4-diol
- SCHEMBL4385711
- DTXSID00732556
- 53918-50-6
-
- Inchi： 1S/C12H18O2/c1-4-7-12(2,3)10-8-9(13)5-6-11(10)14/h5-6,8,13-14H,4,7H2,1-3H3
- InChI Key： WWAUXRVRDGKTTA-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1C(C)(C)CCC)O
Computed Properties
- Exact Mass: 194.13074
- Monoisotopic Mass: 194.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 177
- 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: 4
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,4-Benzenediol, 2-(1,1-dimethylbutyl)- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
53918-50-6 (1,4-Benzenediol, 2-(1,1-dimethylbutyl)-) Related Products
- 120-95-6(2,4-bis(2-methylbutan-2-yl)phenol)
- 89-72-5(2-Sec-Butylphenol)
- 1596-13-0(2-Cyclohexyl-5-methylphenol)
- 79-74-3(2,5-Di-tert-amylhydroquinone)
- 119-42-6(2-Cyclohexylphenol)
- 903-19-5(2,5-Bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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