Cas no 98448-59-0 (1,4-Benzenediol, 2,5-bis(1,1,4-trimethylpentyl)-)
98448-59-0 structure
Product Name:1,4-Benzenediol, 2,5-bis(1,1,4-trimethylpentyl)-
CAS No:98448-59-0
MF:C22H38O2
MW:334.535927295685
CID:750610
PubChem ID:59638964
Update Time:2025-04-19
1,4-Benzenediol, 2,5-bis(1,1,4-trimethylpentyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,4-Benzenediol, 2,5-bis(1,1,4-trimethylpentyl)-
- 2,5-bis(2,5-dimethylhexan-2-yl)benzene-1,4-diol
- DTXSID80732554
- 98448-59-0
-
- Inchi： 1S/C22H38O2/c1-15(2)9-11-21(5,6)17-13-20(24)18(14-19(17)23)22(7,8)12-10-16(3)4/h13-16,23-24H,9-12H2,1-8H3
- InChI Key： HDDAEAZRBVDHCI-UHFFFAOYSA-N
- SMILES： OC1C=C(C(=CC=1C(C)(C)CCC(C)C)O)C(C)(C)CCC(C)C
Computed Properties
- Exact Mass: 334.287180451g/mol
- Monoisotopic Mass: 334.287180451g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 8
- Complexity: 334
- 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: 8.3
- Topological Polar Surface Area: 40.5?2
1,4-Benzenediol, 2,5-bis(1,1,4-trimethylpentyl)- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
98448-59-0 (1,4-Benzenediol, 2,5-bis(1,1,4-trimethylpentyl)-) Related Products
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