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2D Structure
Also known as: 700-58-3, Adamantan-2-one, Adamantanone, 2-adamantone, 2-oxoadamantane, Tricyclo[3.3.1.13,7]decanone
Molecular Formula
C10H14O
Molecular Weight
150.22  g/mol
InChI Key
IYKFYARMMIESOX-UHFFFAOYSA-N
FDA UNII
UI7W503L08

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
adamantan-2-one
2.1.2 InChI
InChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2
2.1.3 InChI Key
IYKFYARMMIESOX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C2CC3CC1CC(C2)C3=O
2.2 Other Identifiers
2.2.1 UNII
UI7W503L08
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Adamantanone

2.3.2 Depositor-Supplied Synonyms

1. 700-58-3

2. Adamantan-2-one

3. Adamantanone

4. 2-adamantone

5. 2-oxoadamantane

6. Tricyclo[3.3.1.13,7]decanone

7. Tricyclo[3.3.1.13,7]decan-2-one

8. Mfcd00074737

9. Tricyclo(3.3.1.13,7)decan-2-one

10. Tricyclo(3.3.1.1(sup 3,7))decanone

11. Chebi:40611

12. Tricyclo(3.3.1.13,7)decanone

13. Ui7w503l08

14. Nsc-126345

15. Tricyclo[3.3.1.1(sup 3,7)]decanone

16. Einecs 211-847-2

17. Nsc 126345

18. Brn 1210235

19. Unii-ui7w503l08

20. Ai3-34003

21. 2-adamantanon

22. 2-admantanone

23. 2 -adamantanon

24. Tricyclo[3.3.1.1~3,7~]decan-2-one

25. Schembl71132

26. Schembl4721541

27. Chembl2041316

28. Dtxsid9022108

29. Schembl10285140

30. Schembl14094609

31. Schembl14791313

32. Act02933

33. Hy-y0421

34. Str01057

35. Tricyclo[3.3.1.13,7]decaneone

36. Zinc3882578

37. Ac7531

38. C0604

39. Nsc126345

40. Stk325358

41. Tricyclo[3.3.1.1(3,7)]decanone

42. Akos001086414

43. Akos005256545

44. Ac-8482

45. Cs-w019662

46. Db02125

47. Fs-4094

48. Ps-3002

49. 2-adamantanone, Reagentplus(r), 99%

50. Tricyclo[3.3.1.13,7 ]decan-2-one

51. Ac-16093

52. Sy005737

53. Tricyclo[3.3.1.1(3,7)]decan-2-one

54. Tricyclo[3.3.1.1^3,^7]decan-2-one

55. Db-005158

56. A0719

57. Ft-0600862

58. 2-adamantanone, Vetec(tm) Reagent Grade, 98%

59. 700a583

60. A836754

61. Q-200226

62. Q27093191

63. F0001-1816

64. (1r,3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-2-one

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 150.22 g/mol
Molecular Formula C10H14O
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass150.104465066 g/mol
Monoisotopic Mass150.104465066 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity177
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1