Diethyl Sebacate

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Also known as: Diethyl decanedioate, 110-40-7, Decanedioic acid, diethyl ester, Ethyl sebacate, Bisoflex des, Sebacic acid, diethyl ester

Molecular Formula

C₁₄H₂₆O₄

Molecular Weight

258.35 g/mol

InChI Key

ONKUXPIBXRRIDU-UHFFFAOYSA-N

FDA UNII

I41B9FJK6V

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

diethyl decanedioate

2.1.2 InChI

InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3

2.1.3 InChI Key

ONKUXPIBXRRIDU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)CCCCCCCCC(=O)OCC

2.2 Other Identifiers

2.2.1 UNII

I41B9FJK6V

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Diethyl Decanedioate

2. Ethyl Sebacate

3. Sebacic Acid Diethyl Ester

2.3.2 Depositor-Supplied Synonyms

1. Diethyl Decanedioate

2. 110-40-7

3. Decanedioic Acid, Diethyl Ester

4. Ethyl Sebacate

5. Bisoflex Des

6. Sebacic Acid, Diethyl Ester

7. Diethyl 1,10-decanedioate

8. Sebacic Acid Diethyl Ester

9. Ethyl Sebacate (van)

10. Fema No. 2376

11. Diethyl 1,8-octanedicarboxylate

12. Nsc 8911

13. Decanedioic Acid, 1,10-diethyl Ester

14. I41b9fjk6v

15. Nsc-8911

16. Decanedioic Acid,diethyl Ester

17. Decanedioic Acid Diethyl Ester

18. Einecs 203-764-5

19. Unii-i41b9fjk6v

20. 1,10-diethyl Decanedioate

21. Brn 1790779

22. Ai3-01970

23. Diethyl Sebecate

24. Sebacic Acid Diethyl

25. Mfcd00009219

26. Sebacinsaurediathylester

27. Diethyl Sebacate (nf)

28. Diethyl Sebacate, 98%

29. Dsstox_cid_1915

30. Dsstox_rid_76399

31. Dsstox_gsid_21915

32. Schembl33870

33. Wln: 2ov8vo2

34. 4-02-00-02080 (beilstein Handbook Reference)

35. Diethyl Sebacate [ii]

36. Diethyl Sebacate [fcc]

37. Diethyl Sebacate [fhfi]

38. Diethyl Sebacate [inci]

39. Chembl1884461

40. Dtxsid0021915

41. Ethyl Sebacate [who-dd]

42. Fema 2376

43. Nsc8911

44. Chebi:172099

45. Diethyl Sebacate [usp-rs]

46. Zinc3875772

47. Tox21_301167

48. Diethyl Sebacate, Analytical Standard

49. Stl280489

50. Akos015915696

51. Cs-w010159

52. Diethyl Sebacate, >=98%, Fcc, Fg

53. Sebacic Acid Diethyl Ester [mi]

54. Ncgc00164103-01

55. Ncgc00164103-02

56. Ncgc00255065-01

57. Cas-110-40-7

58. Decanedioic Acid 1,10-diethyl Ester

59. Ft-0686715

60. S0024

61. En300-83817

62. D10682

63. E82985

64. W-108687

65. Q27280379

66. Decanedioic Acid 1,10-diethyl Ester, Nsc 8911, Sebacic Acid Diethyl Ester

67. Diethyl Sebacate, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₆O₄
Molecular Weight	258.35 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	13
Exact Mass	258.18310931 g/mol
Monoisotopic Mass	258.18310931 g/mol
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	202
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

Diethyl Sebacate

Diethyl Sebacate

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