6065-63-0

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CHEMISTRY

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Chemistry

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Also known as: 6065-63-0, Diethyl 2,2-dipropylmalonate, Diethyl 2,2-dipropylpropanedioate, Diethyl di-n-propylmalonate, Dtxsid7057783, Dipropyl-malonic acid diethyl ester

Molecular Formula

C₁₃H₂₄O₄

Molecular Weight

244.33 g/mol

InChI Key

NNDOHYGFLASMFR-UHFFFAOYSA-N

1 2D Structure

6065-63-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

diethyl 2,2-dipropylpropanedioate

2.1.2 InChI

InChI=1S/C13H24O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-10H2,1-4H3

2.1.3 InChI Key

NNDOHYGFLASMFR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCC(CCC)(C(=O)OCC)C(=O)OCC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6065-63-0

2. Diethyl 2,2-dipropylmalonate

3. Diethyl 2,2-dipropylpropanedioate

4. Diethyl Di-n-propylmalonate

5. Dtxsid7057783

6. Dipropyl-malonic Acid Diethyl Ester

7. Diethyl-dipropylmalonate

8. Diethyldipropyl Malonate

9. Propanedioic Acid, Dipropyl-, Diethyl Ester

10. Einecs 227-998-2

11. Di-n-propylmalonic Acid Diethyl Ester

12. Malonic Acid, Dipropyl-, Diethyl Ester

13. Ec 227-998-2

14. Schembl2353115

15. Chembl3184366

16. Diethyl 2,2-dipropylmalonate #

17. Dtxcid8031572

18. Dipropylmalonic Acid Diethyl Ester

19. Tox21_113799

20. Mfcd00026840

21. Nsc163902

22. Akos009159345

23. 1,3-diethyl 2,2-dipropylpropanedioate

24. Cs-w012737

25. Nsc 163902

26. Nsc-163902

27. Ncgc00253675-01

28. Ls-14249

29. Cas-6065-63-0

30. Db-053683

31. D2762

32. Ns00008852

33. H11283

34. A832830

35. Sr-01000944906

36. Sr-01000944906-1

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₄O₄
Molecular Weight	244.33 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	52.6
Heavy Atom Count	17
Formal Charge	0
Complexity	222
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

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