Cas no 22645-27-8 (1,3-Dioxane,5-ethyl-2-(1-methylethyl)-, trans-)
22645-27-8 structure
Product Name:1,3-Dioxane,5-ethyl-2-(1-methylethyl)-, trans-
1,3-Dioxane,5-ethyl-2-(1-methylethyl)-, trans- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane,5-ethyl-2-(1-methylethyl)-, trans-
- 5β-Ethyl-2α-isopropyl-1,3-dioxane
- DTXSID70945313
- m-DIOXANE, 5-ETHYL-2-ISOPROPYL-, (Z)-
- cis-5-Ethyl-2-isopropyl-1,3-dioxane
- 23791-89-1
- 22645-27-8
- m-DIOXANE, 5-ETHYL-2-ISOPROPYL-, (E)-
- 5-ethyl-2-(propan-2-yl)-1,3-dioxane
- trans-5-Ethyl-2-isopropyl-1,3-dioxane
-
- Inchi： 1S/C9H18O2/c1-4-8-5-10-9(7(2)3)11-6-8/h7-9H,4-6H2,1-3H3
- InChI Key： LOVWNVWPXIBGIX-UHFFFAOYSA-N
- SMILES： O1CC(CC)COC1C(C)C
Computed Properties
- Exact Mass: 158.131
- Monoisotopic Mass: 158.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 104
- 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
- Topological Polar Surface Area: 18.5A^2
- XLogP3: 2.3
Experimental Properties
- Density: 0.887
- Boiling Point: 193.4°Cat760mmHg
- Flash Point: 67.6°C
- Refractive Index: 1.417
1,3-Dioxane,5-ethyl-2-(1-methylethyl)-, trans- Related Literature
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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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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