Cas no 53268-44-3 (diethyl tert-butyl(methyl)propanedioate)
53268-44-3 structure
Product Name:diethyl tert-butyl(methyl)propanedioate
CAS No:53268-44-3
MF:C12H22O4
MW:230.300684452057
CID:1581893
PubChem ID:40706
Update Time:2025-04-21
diethyl tert-butyl(methyl)propanedioate Chemical and Physical Properties
Names and Identifiers
-
- diethyl tert-butyl(methyl)propanedioate
- DIETHYL TERT-BUTYLMETHYLMALONATE
- diethyl 2-tert-butyl-2-methylpropanedioate
- DTXSID20201390
- 53268-44-3
-
- Inchi： 1S/C12H22O4/c1-7-15-9(13)12(6,11(3,4)5)10(14)16-8-2/h7-8H2,1-6H3
- InChI Key： CVOBUHAGPHYJPC-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(C)C(C)(C)C)=O
Computed Properties
- Exact Mass: 230.15186
- Monoisotopic Mass: 230.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 245
- 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: 3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
diethyl tert-butyl(methyl)propanedioate Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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