Cas no 72651-95-7 (1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(1-methylethyl)-)
72651-95-7 structure
Product Name:1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(1-methylethyl)-
CAS No:72651-95-7
MF:C9H14O4
MW:186.205063343048
CID:543599
PubChem ID:11321371
Update Time:2025-04-19
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(1-methylethyl)-
- 2,2-dimethyl-5-isopropylidene-1,3-dioxan-4,6-dione
- 2,2-dimethyl-5-propan-2-yl-1,3-dioxane-4,6-dione
- 1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(1-methylethyl)
- 5-isopropyl-2,2-dimethyl-1,3-dioxan-4,6-dione
- 5-isopropyl-2,2-dimethyl-1,3-dioxane-4,6-dione
- isopropyl Meldrum's acid
- isopropylidene isopropylmalonate
- DTXSID20462247
- 72651-95-7
- SCHEMBL623278
-
- Inchi： 1S/C9H14O4/c1-5(2)6-7(10)12-9(3,4)13-8(6)11/h5-6H,1-4H3
- InChI Key： QIXBKCQMVPXYQY-UHFFFAOYSA-N
- SMILES： O1C(C(C(=O)OC1(C)C)C(C)C)=O
Computed Properties
- Exact Mass: 186.08900
- Monoisotopic Mass: 186.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 222
- 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
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.60000
- LogP: 1.09470
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(1-methylethyl)- Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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