Cas no 181639-60-1 (1,3-Dioxane-4,6-dione, 2-methyl-2-propyl-)
181639-60-1 structure
Product Name:1,3-Dioxane-4,6-dione, 2-methyl-2-propyl-
CAS No:181639-60-1
MF:C8H12O4
MW:172.178483009338
CID:1373383
PubChem ID:11658355
Update Time:2025-04-20
1,3-Dioxane-4,6-dione, 2-methyl-2-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane-4,6-dione, 2-methyl-2-propyl-
- 2-methyl-2-propyl-1,3-dioxane-4,6-dione
- SCHEMBL5708886
- DTXSID30470136
- DB-127816
- 181639-60-1
-
- Inchi： 1S/C8H12O4/c1-3-4-8(2)11-6(9)5-7(10)12-8/h3-5H2,1-2H3
- InChI Key： FZQUTQUNUVLDKC-UHFFFAOYSA-N
- SMILES： O1C(CC(=O)OC1(C)CCC)=O
Computed Properties
- Exact Mass: 172.07356
- Monoisotopic Mass: 172.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 193
- 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: 1.5
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
1,3-Dioxane-4,6-dione, 2-methyl-2-propyl- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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