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1,16-Hexadecanedioic Acid
PharmaCompass
1,16-Hexadecanedioic Acid
Also known as: 505-54-4, Thapsic acid, 1,14-tetradecanedicarboxylic acid, 1,16-hexadecanedioic acid, Hexadecane-1,16-dioic acid, Qqhjdpromqrdla-uhfffaoysa-n
Molecular Formula
C16H30O4
Molecular Weight
286.412  g/mol
InChI Key
QQHJDPROMQRDLA-UHFFFAOYSA-N

1 2D Structure

1,16-Hexadecanedioic Acid

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
hexadecanedioic acid
2.1.2 InChI
InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)
2.1.3 InChI Key
QQHJDPROMQRDLA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CCCCCCCC(=O)O)CCCCCCC(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 505-54-4

2. Thapsic Acid

3. 1,14-tetradecanedicarboxylic Acid

4. 1,16-hexadecanedioic Acid

5. Hexadecane-1,16-dioic Acid

6. Qqhjdpromqrdla-uhfffaoysa-n

7. 1,14-tetradecane Dicarboxylic Acid

8. N-tetradecane-.omega.,.omega.'-dicarboxylic Acid

9. Nsc15164

10. Sbb067243

11. Dicarboxylic Acid C16

12. Ak-40025

13. 1,16-hexadecanedioate

14. Thapsate

15. Thaspic Acid

16. Hexadecandioic Acid

17. Einecs 208-013-5

18. Nsc 15164

19. Hexadecanedioic

20. Hexadecanedioicacid

21. N-tetradecane-omega,omega'-dicarboxylic Acid

22. Acmc-1am9z

23. A,w-tetradecanedicarboxylate

24. Ac1l1v8s

25. Ac1q75fk

26. Hexadecanedioic Acid, 96%

27. Schembl36069

28. Ksc270e4l

29. 1,14-tetradecanedicarboxylate

30. Megxp0_000578

31. A,w-tetradecanedicarboxylic Acid

32. Dtxsid2060129

33. Chebi:73722

34. Ctk1h0245

35. N-tetradecane-w,w'-dicarboxylate

36. Molport-001-740-735

37. Ks-000000gx

38. Zinc3861298

39. Anw-31047

40. Lmfa01170022

41. Mfcd00002746

42. N-tetradecane-w,w'-dicarboxylic Acid

43. Nsc-15164

44. Akos015839798

45. Cs-w018947

46. Rtr-018058

47. Aj-46164

48. An-45412

49. Lp000283

50. Ax8016512

51. Kb-123703

52. Tr-018058

53. Am20100234

54. Ft-0601008

55. St24030755

56. Hexadecanedioic Acid, Purum, >=98.0% (gc)

57. C19615

58. M-4530

59. 505h544

60. C-18047

61. I14-2333

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 286.412 g/mol
Molecular Formula C16H30O4
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Exact Mass286.214 g/mol
Monoisotopic Mass286.214 g/mol
Topological Polar Surface Area74.6 A^2
Heavy Atom Count20
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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