Cas no 5406-34-8 (1,3-Dioxane,5,5-dimethyl-2-(1-propen-1-yl)-)
5406-34-8 structure
Product Name:1,3-Dioxane,5,5-dimethyl-2-(1-propen-1-yl)-
CAS No:5406-34-8
MF:C9H16O2
MW:156.222143173218
CID:379812
PubChem ID:5354352
Update Time:2025-04-19
1,3-Dioxane,5,5-dimethyl-2-(1-propen-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane,5,5-dimethyl-2-(1-propen-1-yl)-
- 5,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxane
- SCHEMBL9336557
- DTXSID70417782
- NSC6990
- NSC-6990
- 5406-34-8
-
- Inchi: 1S/C9H16O2/c1-4-5-8-10-6-9(2,3)7-11-8/h4-5,8H,6-7H2,1-3H3/b5-4+
- InChI Key: ZGRCBOBWCLZHKO-SNAWJCMRSA-N
- SMILES: O1C(/C=C/C)OCC(C)(C)C1
Computed Properties
- Exact Mass: 156.11508
- Monoisotopic Mass: 156.11503
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 140
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 18.5
- XLogP3: 1.9
Experimental Properties
- Density: 0.959
- Boiling Point: 178°C at 760 mmHg
- Flash Point: 54.5°C
- Refractive Index: 1.485
- PSA: 18.46
- LogP: 1.96160
1,3-Dioxane,5,5-dimethyl-2-(1-propen-1-yl)- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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