Cas no 5702-49-8 (1,3-Dioxane, 2-(1-methylethyl)-)
5702-49-8 structure
Product Name:1,3-Dioxane, 2-(1-methylethyl)-
CAS No:5702-49-8
MF:C7H14O2
MW:130.184862613678
CID:346887
PubChem ID:5175345
Update Time:2025-04-19
1,3-Dioxane, 2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane, 2-(1-methylethyl)-
- 2-Methylpropanal trimethylene acetal
- 2-propan-2-yl-1,3-dioxane
- AKOS024434002
- 2-Isopropyl-1,3-dioxane
- SCHEMBL3195063
- 5702-49-8
- 2-Isopropyl-[1,3]dioxane
- DTXSID60409176
- SCHEMBL3195059
-
- Inchi： 1S/C7H14O2/c1-6(2)7-8-4-3-5-9-7/h6-7H,3-5H2,1-2H3
- InChI Key： JUTVXESYHPHLKJ-UHFFFAOYSA-N
- SMILES： O1CCCOC1C(C)C
Computed Properties
- Exact Mass: 130.09942
- Monoisotopic Mass: 130.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 75
- 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: 1.6
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
1,3-Dioxane, 2-(1-methylethyl)- 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
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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