Cas no 3390-18-9 (1,3-Dioxane,4,6-dimethyl-, (4R,6S)-rel-)
3390-18-9 structure
Product Name:1,3-Dioxane,4,6-dimethyl-, (4R,6S)-rel-
1,3-Dioxane,4,6-dimethyl-, (4R,6S)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane,4,6-dimethyl-, (4R,6S)-rel-
- (4R,6S)-4,6-dimethyl-1,3-dioxane
- 4α,6α-Dimethyl-1,3-dioxane
- 1,3-dioxane, 4,6-dimethyl-, (4R,6S)-
- 1,3-Dioxane, 4,6-dimethyl-, cis-
- 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
-
- 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,6S)-rel- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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