Close
4
Pipeline-Prospector-Insert
X

Overview

Client Email Product
1,18-Octadecanedioic Acid
PharmaCompass
1,18-Octadecanedioic Acid
Also known as: 871-70-5, 1,16-hexadecanedicarboxylic acid, 1,18-octadecanedioic acid, Octadecane-1,18-dioic acid, Hexadecanedicarboxylic acid, 1,18-octadecadioic acid
Molecular Formula
C18H34O4
Molecular Weight
314.466  g/mol
InChI Key
BNJOQKFENDDGSC-UHFFFAOYSA-N
FDA UNII
RSZ6PQ0QQJ

1 2D Structure

1,18-Octadecanedioic Acid

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
octadecanedioic acid
2.1.2 InChI
InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)
2.1.3 InChI Key
BNJOQKFENDDGSC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CCCCCCCCC(=O)O)CCCCCCCC(=O)O
2.2 Other Identifiers
2.2.1 UNII
RSZ6PQ0QQJ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 871-70-5

2. 1,16-hexadecanedicarboxylic Acid

3. 1,18-octadecanedioic Acid

4. Octadecane-1,18-dioic Acid

5. Hexadecanedicarboxylic Acid

6. 1,18-octadecadioic Acid

7. Bnjoqkfenddgsc-uhfffaoysa-n

8. Octadecanedioate

9. Or30639

10. Ak-81059

11. 1,18-octadecanedioate

12. Octadecandis

13. 1,16-hexadecanedicarboxylate

14. Unii-rsz6pq0qqj

15. Odda

16. Rsz6pq0qqj

17. Ac1l2dcb

18. Acmc-209qi9

19. Ac1q5wa2

20. Schembl35775

21. Ksc448e6b

22. Dtxsid1074331

23. Ctk3e8260

24. Ks-00000gus

25. Chebi:133086

26. Molport-001-783-903

27. 1,16-hexadecane Dicarboxylic Acid

28. Zinc5178630

29. Zx-at015318

30. Anw-38623

31. Lmfa01170029

32. Mfcd00142369

33. Akos015839857

34. Cs-w005178

35. Gs-3421

36. Ls41868

37. Aj-53500

38. An-47837

39. Kb-79654

40. Lp124675

41. Sc-65539

42. Ax8145993

43. St2413634

44. Tr-027285

45. 4ch-007601

46. Ft-0700803

47. O0222

48. M-8129

49. 871o705

50. A842023

51. 102140-75-0

52. 98864-90-5

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 314.466 g/mol
Molecular Formula C18H34O4
XLogP36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count17
Exact Mass314.246 g/mol
Monoisotopic Mass314.246 g/mol
Topological Polar Surface Area74.6 A^2
Heavy Atom Count22
Formal Charge0
Complexity248
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty

Advertise With Us

Advertise With Us