Cas no 2244-87-3 (1,3-Dioxane, 4-butyl-)
1,3-Dioxane, 4-butyl- structure
Product Name:1,3-Dioxane, 4-butyl-
CAS No:2244-87-3
MF:C8H16O2
MW:144.211442947388
CID:1409871
PubChem ID:71358125
Update Time:2025-04-20
1,3-Dioxane, 4-butyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane, 4-butyl-
- 4-butyl-1,3-dioxane
- 2244-87-3
- DTXSID10782148
-
- Inchi： 1S/C8H16O2/c1-2-3-4-8-5-6-9-7-10-8/h8H,2-7H2,1H3
- InChI Key： PORHTZWIYAATQO-UHFFFAOYSA-N
- SMILES： O1COCCC1CCCC
Computed Properties
- Exact Mass: 144.11508
- Monoisotopic Mass: 144.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 83.3
- 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: 2
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
1,3-Dioxane, 4-butyl- Related Literature
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
2244-87-3 (1,3-Dioxane, 4-butyl-) Related Products
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