Cas no 844-80-4 (1,4-Benzenediol, 2-(1,1-dimethylethyl)-5-(1,1,3,3-tetramethylbutyl)-)
844-80-4 structure
Product Name:1,4-Benzenediol, 2-(1,1-dimethylethyl)-5-(1,1,3,3-tetramethylbutyl)-
CAS No:844-80-4
MF:C18H30O2
MW:278.429605960846
CID:667125
PubChem ID:19096413
Update Time:2025-04-19
1,4-Benzenediol, 2-(1,1-dimethylethyl)-5-(1,1,3,3-tetramethylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenediol, 2-(1,1-dimethylethyl)-5-(1,1,3,3-tetramethylbutyl)-
- 2-tert-butyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol
- DTXSID20598030
- SCHEMBL9292302
- 844-80-4
-
- Inchi： 1S/C18H30O2/c1-16(2,3)11-18(7,8)13-10-14(19)12(9-15(13)20)17(4,5)6/h9-10,19-20H,11H2,1-8H3
- InChI Key： XICYYEQDNMVEPZ-UHFFFAOYSA-N
- SMILES： OC1C=C(C(=CC=1C(C)(C)CC(C)(C)C)O)C(C)(C)C
Computed Properties
- Exact Mass: 278.224580195g/mol
- Monoisotopic Mass: 278.224580195g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 319
- 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: 6.3
- Topological Polar Surface Area: 40.5?2
1,4-Benzenediol, 2-(1,1-dimethylethyl)-5-(1,1,3,3-tetramethylbutyl)- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
844-80-4 (1,4-Benzenediol, 2-(1,1-dimethylethyl)-5-(1,1,3,3-tetramethylbutyl)-) Related Products
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