Cas no 10433-88-2 (Propanedioic acid,2-methyl-2-(3-oxobutyl)-, 1,3-diethyl ester)
10433-88-2 structure
Product Name:Propanedioic acid,2-methyl-2-(3-oxobutyl)-, 1,3-diethyl ester
CAS No:10433-88-2
MF:C12H20O5
MW:244.284204483032
CID:178595
PubChem ID:342232
Update Time:2025-04-19
Propanedioic acid,2-methyl-2-(3-oxobutyl)-, 1,3-diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid,2-methyl-2-(3-oxobutyl)-, 1,3-diethyl ester
- diethyl 2-methyl-2-(3-oxobutyl)propanedioate
- 2-methyl-2-(3oxobutyl)-diethyl ester
- 2-methyl-2-(3-oxo-butyl)-propanedioic acid diethyl ester
- 5,5-dicarbethoxy-2-hexanone
- AC1L7VPR
- diethyl 2-methyl-2-(3-oxobutyl)malonate
- diethyl 2-methyl-2-(3-oxobutyl)-propanedioate
- methyl-(3-oxo-butyl)-malonic acid diethyl ester
- Methyl-(3-oxo-butyl)-malonsaeure-diaethylester
- methyl(3-oxobutyl)propanedioic acid diethyl ester
- NSC378220
- 10433-88-2
- KSWCYAJKDRMLKY-UHFFFAOYSA-N
- Diethyl methyl(3-oxobutyl)propanedioate
- SCHEMBL10841216
- NSC-378220
- DTXSID90321579
- 1,3-diethyl 2-methyl-2-(3-oxobutyl)propanedioate
-
- Inchi： 1S/C12H20O5/c1-5-16-10(14)12(4,8-7-9(3)13)11(15)17-6-2/h5-8H2,1-4H3
- InChI Key： KSWCYAJKDRMLKY-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(C)CCC(C)=O)=O
Computed Properties
- Exact Mass: 244.1311
- Monoisotopic Mass: 244.13107373g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 9
- Complexity: 277
- 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: 1.3
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
- LogP: 1.48810
Propanedioic acid,2-methyl-2-(3-oxobutyl)-, 1,3-diethyl ester Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
10433-88-2 (Propanedioic acid,2-methyl-2-(3-oxobutyl)-, 1,3-diethyl ester) Related Products
- 517-23-7(2-Acetylbutyrolactone)
- 1540-29-0(Ethyl 2-acetylhexanoate)
- 774-05-0(ethyl 2-oxocycloheptane-1-carboxylate)
- 3779-29-1(1,1-diethyl cyclobutane-1,1-dicarboxylate)
- 596-75-8(Diethyl dibutylmalonate)
- 607-97-6(Ethyl-2-ethylacetoacetate)
- 2163-48-6(Diethyl propylmalonate)
- 570-08-1(Diethyl 2-Acetylmalonate)
- 609-14-3(ethyl 2-methyl-3-oxobutanoate)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
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