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2D Structure
Also known as: 1660-04-4, 1-acetyladamantane, 1-(1-adamantyl)ethanone, 1-adamantylmethylketone, 1-(adamantan-1-yl)ethan-1-one, Methyl 1-adamantyl ketone
Molecular Formula
C12H18O
Molecular Weight
178.27  g/mol
InChI Key
DACIGVIOAFXPHW-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(1-adamantyl)ethanone
2.1.2 InChI
InChI=1S/C12H18O/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3
2.1.3 InChI Key
DACIGVIOAFXPHW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)C12CC3CC(C1)CC(C3)C2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1660-04-4

2. 1-acetyladamantane

3. 1-(1-adamantyl)ethanone

4. 1-adamantylmethylketone

5. 1-(adamantan-1-yl)ethan-1-one

6. Methyl 1-adamantyl Ketone

7. Adamantyl Methyl Ketone

8. 1-adamantan-1-yl-ethanone

9. Mfcd00074739

10. Methyl Tricyclo(3.3.1.13,7)dec-1-yl Ketone

11. Ethanone, 1-tricyclo[3.3.1.13,7]decyl-

12. 1-((3r,5r,7r)-adamantan-1-yl)ethan-1-one

13. Ethanone, 1-tricyclo[3.3.1.1(3,7)-]dec-1-yl-

14. Acetyladamantane

15. 1-(adamantan-1-yl)ethanone

16. Ethanone, 1-tricyclo(3.3.1.13,7)dec-1-yl-

17. Ethanone, 1-tricyclo[3.3.1.13,7]dec-1-yl-

18. Acetyldamantane

19. 1-(1-adamantyl)ethan-1-one

20. Einecs 216-761-9

21. 1-acetyl-adamantane

22. Methyl Adamantyl Ketone

23. Methyl Adamantyl-1 Ketone

24. Ketone, 1-adamantyl Methyl

25. Adamantan-1-yl-ethan-1-one

26. Adamantan-1-yl Methyl Ketone

27. Schembl159994

28. 1-(1-adamantyl)-1-ethanone

29. Schembl19757635

30. Dacigvioafxphw-uhfffaoysa-

31. Dtxsid60168059

32. 1-adamantyl Methyl Ketone, 99%

33. Zinc3861155

34. Stk387539

35. Akos000121013

36. Akos000423113

37. Akos005146501

38. Am84568

39. As-9177

40. Tricyclo[3.3.1.13.7]decan-1-acetyl

41. Ac-11126

42. Sy023641

43. 1-acetyl-tricyclo[3.3.1.1(3,7)]decane

44. Cs-0063144

45. Ft-0633741

46. Vu0494587-1

47. 1-(tricyclo[3.3.1.13,7]dec-1-yl)ethanone

48. Ethanone,1-tricyclo[3.3.1.13,7]dec-1-yl-

49. 1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone

50. 660a044

51. Ethanone, 1-tricyclo[3.3.1.1<3,7>dec-1-yl-

52. W-107929

53. F1928-0002

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 178.27 g/mol
Molecular Formula C12H18O
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass178.135765193 g/mol
Monoisotopic Mass178.135765193 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity213
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1