01825_FLUKA

Synopsis, Chemistry

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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

01825_FLUKA

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 Formula	C₁₀H₁₄O
Molecular Weight	150.22 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	150.104465066 g/mol
Monoisotopic Mass	150.104465066 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	177
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