Cas no 1121-87-5 (1,3-Dioxane,4,6-dimethyl-, (4R,6R)-rel-)
1121-87-5 structure
Product Name:1,3-Dioxane,4,6-dimethyl-, (4R,6R)-rel-
1,3-Dioxane,4,6-dimethyl-, (4R,6R)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane,4,6-dimethyl-, (4R,6R)-rel-
- OCBJIXQOIASAQK-UHFFFAOYSA-N
- 1121-87-5
- m-Dioxane, 4,6-dimethyl-, cis-
- 1,3-Dioxane, 4,6-dimethyl-
- 3390-18-9
- 1,3-Dioxane,4,6-dimethyl-,trans-
- m-Dioxane, 4,6-dimethyl-
- 4,6-Dimethyl-1,3-dioxane
- DTXSID50920663
- trans-4,6-Dimethyl-1,3-dioxane
- SCHEMBL4012782
- 1,3-Dioxane, 4,6-dimethyl-, cis-
-
- Inchi： 1S/C6H12O2/c1-5-3-6(2)8-4-7-5/h5-6H,3-4H2,1-2H3
- InChI Key： OCBJIXQOIASAQK-UHFFFAOYSA-N
- SMILES： O1COC(C)CC1C
Computed Properties
- Exact Mass: 116.08376
- Monoisotopic Mass: 116.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 64.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 18.5A^2
- XLogP3: 1
Experimental Properties
- Refractive Index: 1.398
- PSA: 18.46
1,3-Dioxane,4,6-dimethyl-, (4R,6R)-rel- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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