Cas no 55546-14-0 (1,3-Dioxane, 5,5-dimethyl-2-(2-methyl-1-propenyl)-)
55546-14-0 structure
Product Name:1,3-Dioxane, 5,5-dimethyl-2-(2-methyl-1-propenyl)-
CAS No:55546-14-0
MF:C10H18O2
MW:170.248723506927
CID:351584
PubChem ID:15271543
Update Time:2025-04-19
1,3-Dioxane, 5,5-dimethyl-2-(2-methyl-1-propenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane, 5,5-dimethyl-2-(2-methyl-1-propenyl)-
- 5,5-dimethyl-2-(2-methylprop-1-enyl)-1,3-dioxane
- DTXSID90570803
- 5,5-Dimethyl-2-(2-methylprop-1-en-1-yl)-1,3-dioxane
- 55546-14-0
- SCHEMBL4583178
-
- Inchi： 1S/C10H18O2/c1-8(2)5-9-11-6-10(3,4)7-12-9/h5,9H,6-7H2,1-4H3
- InChI Key： FCYWAHDVFRZKSE-UHFFFAOYSA-N
- SMILES： O1C(/C=C(\C)/C)OCC(C)(C)C1
Computed Properties
- Exact Mass: 170.13074
- Monoisotopic Mass: 170.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 168
- 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: 2.5
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
1,3-Dioxane, 5,5-dimethyl-2-(2-methyl-1-propenyl)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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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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