Cas no 87802-24-2 (1,3-Dioxane, 2-(2-bromo-1,1-dimethylethyl)-)
87802-24-2 structure
Product Name:1,3-Dioxane, 2-(2-bromo-1,1-dimethylethyl)-
CAS No:87802-24-2
MF:C8H15BrO2
MW:223.107502222061
CID:652225
PubChem ID:71412102
Update Time:2025-04-19
1,3-Dioxane, 2-(2-bromo-1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane, 2-(2-bromo-1,1-dimethylethyl)-
- 2-(1-bromo-2-methylpropan-2-yl)-1,3-dioxane
- 87802-24-2
- DTXSID00831674
-
- Inchi: 1S/C8H15BrO2/c1-8(2,6-9)7-10-4-3-5-11-7/h7H,3-6H2,1-2H3
- InChI Key: SLZZHLVGJBIFBM-UHFFFAOYSA-N
- SMILES: BrCC(C)(C)C1OCCCO1
Computed Properties
- Exact Mass: 222.02554g/mol
- Monoisotopic Mass: 222.02554g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 119
- 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: 2.2
- Topological Polar Surface Area: 18.5?2
1,3-Dioxane, 2-(2-bromo-1,1-dimethylethyl)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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