CAS 20098-14-0

Chemistry

Chemistry

Also known as: 5-hydroxyadamantan-2-one, 20098-14-0, 5-hydroxy-2-adamantanone, Kemantane, Kemantan, Idramantone [inn]

Molecular Formula

C₁₀H₁₄O₂

Molecular Weight

166.22 g/mol

InChI Key

TZBDEVBNMSLVKT-UHFFFAOYSA-N

FDA UNII

7J4759Y5J1

1 2D Structure

CAS 20098-14-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-hydroxyadamantan-2-one

2.1.2 InChI

InChI=1S/C10H14O2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-8,12H,1-5H2

2.1.3 InChI Key

TZBDEVBNMSLVKT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C2CC3CC(C2)(CC1C3=O)O

2.2 Other Identifiers

2.2.1 UNII

7J4759Y5J1

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-hydroxyadamantan-4-one

2. Adk-412

3. Kamantane

4. Kemantan

5. Kemantane

2.3.2 Depositor-Supplied Synonyms

1. 5-hydroxyadamantan-2-one

2. 20098-14-0

3. 5-hydroxy-2-adamantanone

4. Kemantane

5. Kemantan

6. Idramantone [inn]

7. Nsc-760375

8. Chebi:48581

9. Tricyclo[3.3.1.13,7]decanone, 5-hydroxy-

10. Kemantane;5-hydroxy-2-adamantanone

11. Mfcd00192211

12. 7j4759y5j1

13. 5-hydroxytricyclo[3.3.1.1(3,7)]decanone

14. 5-hydroxy-2-adamantone

15. 5-hydroxy-adamantan-2-one

16. Tricyclo(3.3.1.13,7)decanone, 5-hydroxy-

17. Unii-7j4759y5j1

18. Ncgc00166261-01

19. 4-oxo-1-adamantanol

20. 4-oxoadamantan-1-ol

21. 5-hydroxy Adamantanone

22. Adamantan-4-on-1-ol

23. 5-hydroxy-2-admantanone

24. 5-hydroxyadmantan-2-one

25. 1-hydroxy-4-adamantanone

26. 5-hydroxyadamantane-2-on

27. 1-hydroxyadamantane-4-one

28. 5-hydroxy -2-adamantanone

29. Dsstox_cid_26581

30. Dsstox_rid_81740

31. Dsstox_gsid_46581

32. Oprea1_254797

33. Schembl61676

34. Chembl2105062

35. Dtxsid8046581

36. Schembl19309631

37. Hms3264d04

38. Hms3885p06

39. Idramantone, 20098-14-0,

40. Pharmakon1600-01506164

41. Act03088

42. Albb-013713

43. Hy-b1044

44. Tox21_112380

45. Nsc760375

46. S4529

47. Akos001031795

48. Akos016038251

49. Am84690

50. Ccg-213971

51. Cs-4565

52. Nsc 760375

53. Pb41721

54. Ac-24311

55. As-12160

56. Sy032209

57. 1-[2-(methylthio)ethyl]-4-piperidinamine

58. Cas-20098-14-0

59. Db-025390

60. 4-bromo-10-oxido-1-phenazinyl Methyl Ether

61. Bb 0237254

62. Ft-0659076

63. H0962

64. En300-54117

65. 5-hydroxytricyclo[3.3.1.13,7 ]decan-2-one

66. Ab01563368_01

67. Ae-641/20320060

68. Sr-01000944271

69. Tricyclo[3.3.1.13,7]decan-2-one, 5-hydroxy-

70. Sr-01000944271-1

71. Q27104617

72. Tricyclo[3.3.1.1~3,7~]decan-2-one, 5-hydroxy-

73. (1r,3s)-5-hydroxyadamantan-2-one;5-hydroxy-2-adamantanone

74. Tricyclo(3.3.1.sup(13,7))decan-2-one, 5-hydroxy-

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₄O₂
Molecular Weight	166.22 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	166.099379685 g/mol
Monoisotopic Mass	166.099379685 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	228
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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