Cas no 58619-95-7 (1,3-Dioxane, 5-(methoxymethyl)-2-(1-methylethyl)-, trans-)
58619-95-7 structure
Product Name:1,3-Dioxane, 5-(methoxymethyl)-2-(1-methylethyl)-, trans-
CAS No:58619-95-7
MF:C9H18O3
MW:174.237423419952
CID:341461
PubChem ID:20976021
Update Time:2025-04-19
1,3-Dioxane, 5-(methoxymethyl)-2-(1-methylethyl)-, trans- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane, 5-(methoxymethyl)-2-(1-methylethyl)-, trans-
- 5-(methoxymethyl)-2-propan-2-yl-1,3-dioxane
- 58619-95-7
- DTXSID30610116
- 5-(Methoxymethyl)-2-(propan-2-yl)-1,3-dioxane
-
- Inchi： 1S/C9H18O3/c1-7(2)9-11-5-8(4-10-3)6-12-9/h7-9H,4-6H2,1-3H3
- InChI Key： KJCQPJXLIQKCMR-UHFFFAOYSA-N
- SMILES： O1CC(COC)COC1C(C)C
Computed Properties
- Exact Mass: 174.12564
- Monoisotopic Mass: 174.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 117
- 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: 1.3
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- PSA: 27.69
1,3-Dioxane, 5-(methoxymethyl)-2-(1-methylethyl)-, trans- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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