Cas no 39623-07-9 (1,3-Dioxane-4,6-dione, 5,5-diethyl-2,2-dimethyl-)
39623-07-9 structure
Product Name:1,3-Dioxane-4,6-dione, 5,5-diethyl-2,2-dimethyl-
CAS No:39623-07-9
MF:C10H16O4
MW:200.231643676758
CID:1510069
PubChem ID:10910527
Update Time:2025-04-21
1,3-Dioxane-4,6-dione, 5,5-diethyl-2,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane-4,6-dione, 5,5-diethyl-2,2-dimethyl-
- 5,5-diethyl-2,2-dimethyl-1,3-dioxane-4,6-dione
- DTXSID20448041
- SCHEMBL379582
- 39623-07-9
-
- Inchi： 1S/C10H16O4/c1-5-10(6-2)7(11)13-9(3,4)14-8(10)12/h5-6H2,1-4H3
- InChI Key： ADOATPRTMABUNC-UHFFFAOYSA-N
- SMILES： O1C(C(C(=O)OC1(C)C)(CC)CC)=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: 2
- Complexity: 241
- 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: 2.3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
1,3-Dioxane-4,6-dione, 5,5-diethyl-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
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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