Cas no 57742-51-5 (1,3-Dioxane-4,6-dione, 5-butyl-2,2-dimethyl-)
57742-51-5 structure
Product Name:1,3-Dioxane-4,6-dione, 5-butyl-2,2-dimethyl-
CAS No:57742-51-5
MF:C10H16O4
MW:200.231643676758
CID:344376
PubChem ID:11063445
Update Time:2025-04-19
1,3-Dioxane-4,6-dione, 5-butyl-2,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane-4,6-dione, 5-butyl-2,2-dimethyl-
- 5-butyl-2,2-dimethyl-1,3-dioxane-4,6-dione
- 57742-51-5
- COCRMIPMQVKKOZ-UHFFFAOYSA-N
- DTXSID10453841
- SCHEMBL3784327
-
- Inchi： 1S/C10H16O4/c1-4-5-6-7-8(11)13-10(2,3)14-9(7)12/h7H,4-6H2,1-3H3
- InChI Key： COCRMIPMQVKKOZ-UHFFFAOYSA-N
- SMILES： O1C(C(C(=O)OC1(C)C)CCCC)=O
Computed Properties
- Exact Mass: 200.10488
- Monoisotopic Mass: 200.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 225
- 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: 2.6
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
1,3-Dioxane-4,6-dione, 5-butyl-2,2-dimethyl- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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