Cas no 90734-82-0 (1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(3-oxobutyl)-)
90734-82-0 structure
Product Name:1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(3-oxobutyl)-
CAS No:90734-82-0
MF:C10H14O5
MW:214.215163707733
CID:788453
PubChem ID:11042101
Update Time:2025-04-19
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(3-oxobutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(3-oxobutyl)-
- 2,2-dimethyl-5-(3-oxobutyl)-1,3-dioxane-4,6-dione
- 90734-82-0
- DTXSID60453038
-
- Inchi： 1S/C10H14O5/c1-6(11)4-5-7-8(12)14-10(2,3)15-9(7)13/h7H,4-5H2,1-3H3
- InChI Key： OPAKERNVOIXBSQ-UHFFFAOYSA-N
- SMILES： O1C(C(C(=O)OC1(C)C)CCC(C)=O)=O
Computed Properties
- Exact Mass: 214.08412354g/mol
- Monoisotopic Mass: 214.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 285
- 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: 0.7
- Topological Polar Surface Area: 69.7?2
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(3-oxobutyl)- Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
90734-82-0 (1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(3-oxobutyl)-) Related Products
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