18-Crown-6

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CHEMISTRY

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Description

BUILDING BLOCK

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Chemistry

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Also known as: 18-crown-6, 17455-13-9, 18-crown-6 ether, Ethylene oxide cyclic hexamer, 18-crown-6-ether, 18-crown 6-ether

Molecular Formula

C₁₂H₂₄O₆

Molecular Weight

264.31 g/mol

InChI Key

XEZNGIUYQVAUSS-UHFFFAOYSA-N

FDA UNII

63J177NC5B

1 2D Structure

18-Crown-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,4,7,10,13,16-hexaoxacyclooctadecane

2.1.2 InChI

InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2

2.1.3 InChI Key

XEZNGIUYQVAUSS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1COCCOCCOCCOCCOCCO1

2.2 Other Identifiers

2.2.1 UNII

63J177NC5B

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 18-crown-6

2.3.2 Depositor-Supplied Synonyms

1. 18-crown-6

2. 17455-13-9

3. 18-crown-6 Ether

4. Ethylene Oxide Cyclic Hexamer

5. 18-crown-6-ether

6. 18-crown 6-ether

7. Mfcd00005113

8. Hexaoxacyclooctadecane

9. 18-crown6

10. Chebi:32397

11. 1,4,7,10,13,16-hexaoxacyclooctadecane (18-crown-6)

12. Chembl155204

13. 63j177nc5b

14. Nsc-159836

15. 1,4,7,10,13,16hexaoxa-cyclooctadecane

16. Ccris 3587

17. Einecs 241-473-5

18. Nsc 159836

19. Brn 1619616

20. Unii-63j177nc5b

21. 1,4,7,10,13,16-hexanoxacyclooctadecane

22. 18-crown-6ether

23. O4b

24. 18crown-6

25. 18-crown 6

26. 18--crown-6 Ether

27. [18]crown-6

28. 18 -crown-6

29. 18-crown -6

30. Crown Ether 18-crown-6

31. Schembl1119

32. 18-crown Ether-6

33. 5-19-12-00601 (beilstein Handbook Reference)

34. 18-crown-6, 99%

35. Dtxsid7058626

36. 18-crown-6, Pkg Of 25 G

37. Act02792

38. Amy25595

39. Bcp24491

40. Cs-d1202

41. Zinc3861356

42. 18-crown-6 Ether, 97+ Percent

43. Bdbm50530238

44. Nsc159836

45. Stl185678

46. 18-crown-6, >=99.0%

47. Akos000268988

48. 1,7,10,13,16-hexaoxacyclooctadecane

49. 1,7,10,13,16-hexanoxacyclooctadecane

50. 18-crown-6 Solution, 1.0 M In Thf

51. Wln: T-18-o Do Go Jo Mo Potj

52. 1,4,7,1,13,16-hexaoxacyclooctadecane

53. 1,4,7,10,13,16-hexaoxacyclooctadecan

54. 3,6,9,12,15,18-hexaoxacyclooctadecan

55. Ac-29207

56. Bp-10155

57. Sy002250

58. 1,4,7,10,13,16-hexoxacyclooctadecane

59. 1,4,7, 10,13,16-hexaoxacyclooctadecane

60. 1,4,7,10,13,16-hexaoxacyclo-octadecane

61. 1,4,7,10,13,16-hexaoxacycloocta-decane

62. 18-crown-6, Purum, >=99.0% (gc)

63. Ft-0607264

64. En300-17608

65. 18-c-6

66. 455c139

67. A811662

68. Q-200102

69. Q3238432

70. 18-crown-6, For Ion Chromatography, >=99.0% (gc)

71. F0001-0636

72. 1,4,7,10,13,16-hexaoxacyclooctadecane;1,4,7,10,13,16-hexaoxacyclooctadecane (18-crown-6)

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₄O₆
Molecular Weight	264.31 g/mol
XLogP3	-0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	264.15728848 g/mol
Monoisotopic Mass	264.15728848 g/mol
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	108
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