Cas no 17357-15-2 (1,3-Dioxane, 2-octyl-)
1,3-Dioxane, 2-octyl- structure
Product Name:1,3-Dioxane, 2-octyl-
CAS No:17357-15-2
MF:C12H24O2
MW:200.317764282227
CID:95657
PubChem ID:13751969
Update Time:2025-04-18
1,3-Dioxane, 2-octyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane, 2-octyl-
- 2-octyl-1,3-dioxane
- 17357-15-2
- DTXSID50548427
- SCHEMBL14779416
-
- Inchi： 1S/C12H24O2/c1-2-3-4-5-6-7-9-12-13-10-8-11-14-12/h12H,2-11H2,1H3
- InChI Key： VTFSQYXRDREZAN-UHFFFAOYSA-N
- SMILES： O1CCCOC1CCCCCCCC
Computed Properties
- Exact Mass: 200.177630004g/mol
- Monoisotopic Mass: 200.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 120
- 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: 4.2
- Topological Polar Surface Area: 18.5?2
1,3-Dioxane, 2-octyl- Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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