Also known as: 10203-58-4, Isobutylmalonic acid diethyl ester, Diethyl 2-(2-methylpropyl)propanedioate, Diethyl 2-isobutylmalonate, Propanedioic acid, (2-methylpropyl)-, diethyl ester, Malonic acid, isobutyl-, diethyl ester

Molecular Formula

C₁₁H₂₀O₄

Molecular Weight

216.27 g/mol

InChI Key

OFRFGNSZCYDFOH-UHFFFAOYSA-N

FDA UNII

95WL9E8A77

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

diethyl 2-(2-methylpropyl)propanedioate

2.1.2 InChI

InChI=1S/C11H20O4/c1-5-14-10(12)9(7-8(3)4)11(13)15-6-2/h8-9H,5-7H2,1-4H3

2.1.3 InChI Key

OFRFGNSZCYDFOH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C(CC(C)C)C(=O)OCC

2.2 Other Identifiers

2.2.1 UNII

95WL9E8A77

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 10203-58-4

2. Isobutylmalonic Acid Diethyl Ester

3. Diethyl 2-(2-methylpropyl)propanedioate

4. Diethyl 2-isobutylmalonate

5. Propanedioic Acid, (2-methylpropyl)-, Diethyl Ester

6. Malonic Acid, Isobutyl-, Diethyl Ester

7. Propanedioic Acid, 2-(2-methylpropyl)-, 1,3-diethyl Ester

8. 1,3-diethyl 2-(2-methylpropyl)propanedioate

9. 95wl9e8a77

10. Mfcd00026869

11. Nsc-68522

12. 2-isobutyl-malonic Acid Diethyl Ester

13. Ethyl 2-carbethoxy-4-methyl Pentanoate

14. Einecs 233-504-6

15. Nsc 68522

16. Ai3-05627

17. 2-(2-methylpropyl)propanedioic Acid 1,3-diethyl Ester; Isobutylmalonic Acid Diethyl Ester; (2-methylpropyl)propanedioic Acid Diethyl Ester; 2-isobutylmalonic Acid Diethyl Ester; Ethyl 2-ethoxycarbonyl-4-methylvalerate; Nsc 68522

18. Diethyl I-butylmalonate

19. Ethyl Isobutyl Malonate

20. Diethyl-iso-butyl Malonate

21. 2-(2-methylpropyl)propanedioic Acid Diethyl Ester

22. Diethyl 2-isobutylmalonate #

23. Schembl335607

24. Unii-95wl9e8a77

25. Dtxsid7064998

26. Ofrfgnszcydfoh-uhfffaoysa-

27. Nsc68522

28. 2-isobutylmalonic Acid Diethyl Ester

29. Ac2239

30. Akos005206830

31. Cs-11401

32. Sy019408

33. Cs-0151883

34. I0251

35. Ns00023104

36. En300-28246

37. Ethyl 2-(ethoxycarbonyl)-4-(methyl)pentanoate

38. Ethyl 2-ethoxycarbonyl-4-methylvalerate

39. A800502

40. W-108889

41. 2-(ethyloxycarbonyl)-4-methylpentanoic Acid, Ethyl Ester

42. Z254198236

43. Inchi=1/c11h20o4/c1-5-14-10(12)9(7-8(3)4)11(13)15-6-2/h8-9h,5-7h2,1-4h3

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₂₀O₄
Molecular Weight	216.27 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	52.6
Heavy Atom Count	15
Formal Charge	0
Complexity	193
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

10203-58-4

10203-58-4

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