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18-Crown-6
PharmaCompass
18-Crown-6
Also known as: 17455-13-9, 1,4,7,10,13,16-hexaoxacyclooctadecane, 18-crown-6 ether, Ethylene oxide cyclic hexamer, 18-crown-6-ether, Ccris 3587
Molecular Formula
C12H24O6
Molecular Weight
264.318  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 Depositor-Supplied Synonyms

1. 17455-13-9

2. 1,4,7,10,13,16-hexaoxacyclooctadecane

3. 18-crown-6 Ether

4. Ethylene Oxide Cyclic Hexamer

5. 18-crown-6-ether

6. Ccris 3587

7. 18-crown 6-ether

8. Einecs 241-473-5

9. Nsc 159836

10. Brn 1619616

11. 1,4,7,10,13,16-hexanoxacyclooctadecane

12. Chebi:32397

13. Xezngiuyqvauss-uhfffaoysa-n

14. Mfcd00005113

15. 1,4,7,10,13,16-hexaoxacyclooctadecane (18-crown-6)

16. St023795

17. 18-crown-6(1,4,7,10,13,16-hexaoxacyclooctadecane)

18. 18-crown-6/1,4,7,10,13,16-hexaoxacyclooctadecane

19. Unii-63j177nc5b

20. 18-crown-6ether

21. O4b

22. 18-crown6

23. 18crown-6

24. Pubchem18651

25. 18-crown 6

26. 18--crown-6 Ether

27. 18 -crown-6

28. 18-crown -6

29. Ac1l1fkv

30. Crown Ether 18-crown-6

31. Acmc-20c41s

32. Ac1q1ic4

33. Ac1q1ic5

34. Schembl1119

35. 5-19-12-00601 (beilstein Handbook Reference)

36. Ksc933q3r

37. 18-crown-6, 99%

38. Chembl155204

39. Jsp003574

40. Dtxsid7058626

41. 18-crown-6, Pkg Of 25 G

42. Ctk8d3838

43. Molport-000-872-046

44. 63j177nc5b

45. Wt603

46. Act02792

47. Cs-d1202

48. Zinc3861356

49. 18-crown-6, 99% 10g

50. Nsc159836

51. Sbb040885

52. 18-crown-6, >=99.0%

53. Akos000268988

54. Acn-000264

55. Ls41116

56. Mcule-8785791645

57. Nsc-159836

58. Rp29419

59. Rtc-063933

60. 1,7,10,13,16-hexaoxacyclooctadecane

61. 1,7,10,13,16-hexanoxacyclooctadecane

62. 17455-13-9 18-crown-6

63. Wln: T-18-o Do Go Jo Mo Potj

64. 1,4,7,1,13,16-hexaoxacyclooctadecane

65. 1,4,7,10,13,16-hexaoxacyclooctadecan

66. 3,6,9,12,15,18-hexaoxacyclooctadecan

67. Aj-46177

68. Ak106197

69. An-18609

70. Bc216102

71. Bp-10155

72. Cj-10944

73. He020828

74. He085233

75. Kb-64819

76. Ls-75505

77. Sc-16526

78. 1,4,7,10,13,16-hexoxacyclooctadecane

79. 1,4,7,10,13,16hexaoxa-cyclooctadecane

80. Ab1001970

81. St2414833

82. Tc-063933

83. Tl8001384

84. 1,4,7, 10,13,16-hexaoxacyclooctadecane

85. 1,4,7,10,13,16-hexaoxacyclo-octadecane

86. 1,4,7,10,13,16-hexaoxacycloocta-decane

87. 18-crown-6, Purum, >=99.0% (gc)

88. Ft-0607264

89. En300-17608

90. B-7466

91. 455c139

92. A811662

93. I14-0092

94. Q-200102

95. F0001-0636

96. 134316-24-8

97. 168081-58-1

98. 63172-42-9

99. 65154-22-5

100. 66037-87-4

101. 71210-94-1

102. 71211-03-5

103. 71245-01-7

104. 71251-38-2

105. 71251-39-3

106. 71251-42-8

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 264.318 g/mol
Molecular Formula C12H24O6
XLogP3-0.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass264.157 g/mol
Monoisotopic Mass264.157 g/mol
Topological Polar Surface Area55.4 A^2
Heavy Atom Count18
Formal Charge0
Complexity108
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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