Cas no 2244-84-0 (1,3-dioxane, 4-heptyl-)
1,3-dioxane, 4-heptyl- structure
Product Name:1,3-dioxane, 4-heptyl-
CAS No:2244-84-0
MF:C11H22O2
MW:186.291183948517
CID:1410272
PubChem ID:71358126
Update Time:2025-04-20
1,3-dioxane, 4-heptyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-dioxane, 4-heptyl-
- 4-Heptyl-1,3-dioxane
- LogP
- DTXSID70782149
- 2244-84-0
-
- Inchi： 1S/C11H22O2/c1-2-3-4-5-6-7-11-8-9-12-10-13-11/h11H,2-10H2,1H3
- InChI Key： QYZZNUVMZQGMHU-UHFFFAOYSA-N
- SMILES： O1COCCC1CCCCCCC
Computed Properties
- Exact Mass: 186.16206
- Monoisotopic Mass: 186.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 115
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
1,3-dioxane, 4-heptyl- Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
2244-84-0 (1,3-dioxane, 4-heptyl-) Related Products
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