126-81-8

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CHEMISTRY

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 10 Related Intermediates

1 Suppliers
1 End Use APIs
10 Related Intermediates

Chemistry

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Also known as: Dimedone, 126-81-8, 5,5-dimethylcyclohexane-1,3-dione, Methone, Cyclomethone, Medon

Molecular Formula

C₈H₁₂O₂

Molecular Weight

140.18 g/mol

InChI Key

BADXJIPKFRBFOT-UHFFFAOYSA-N

FDA UNII

B2B5DSX2FC

1 2D Structure

126-81-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5,5-dimethylcyclohexane-1,3-dione

2.1.2 InChI

InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3

2.1.3 InChI Key

BADXJIPKFRBFOT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1(CC(=O)CC(=O)C1)C

2.2 Other Identifiers

2.2.1 UNII

B2B5DSX2FC

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 5,5-dimethylcyclohexane-1,3-dione

2.3.2 Depositor-Supplied Synonyms

1. Dimedone

2. 126-81-8

3. 5,5-dimethylcyclohexane-1,3-dione

4. Methone

5. Cyclomethone

6. Medon

7. Dimedon

8. 1,3-cyclohexanedione, 5,5-dimethyl-

9. Methon

10. 5,5-dimethyldihydroresorcinol

11. 5,5-dimethylhydroresorcinol

12. Dimethyldihydroresorcinol

13. 1,1-dimethyl-3,5-diketocyclohexane

14. 1,1-dimethyl-3,5-cyclohexanedione

15. Lu 274

16. 5,5-dimethyl-cyclohexane-1,3-dione

17. Mfcd00001588

18. Nsc 14984

19. B2b5dsx2fc

20. 5,5-dimethyl-1,3-cyclohexandion

21. Nsc-14984

22. 1,5-cyclohexanedione

23. 5,3-cyclohexanedione

24. 5,3-dione

25. 1,5-diketocyclohexane

26. 1, 5,5-dimethyl-

27. Einecs 204-804-4

28. Unii-b2b5dsx2fc

29. Ai3-19939

30. 5,5'-dimethylcyclohexane-1,3-dione

31. Ec 204-804-4

32. Schembl123127

33. Dtxsid8021987

34. 5,5-dimethyl-1,3-cyclohexadione

35. 5,5-dimethyl-1,3cyclohexanedione

36. 5,5-dimethyl-1,3-cyclohexandione

37. 5,5-dimethylcyclohexan-1,3-dione

38. Nsc14984

39. Nsc17544

40. Nsc43759

41. 5,5-dimethyl-1,3-dihydroresorcinol

42. Nsc-17544

43. Nsc-43759

44. Nsc242994

45. Stk365156

46. 5, 5-dimethyl-1,3-cyclohexanedione

47. 5,5-dimethyl-1, 3-cyclohexanedione

48. Akos000119900

49. Am10627

50. Cs-w016456

51. Hy-w015740

52. Nsc-242994

53. Sb15818

54. As-14592

55. Bp-12997

56. Sy010547

57. 5,5-dimethyl-1,3-cyclohexanedione, 95%

58. D0701

59. Ft-0625018

60. En300-19675

61. D70508

62. 5,5-dimethyl-1,3-cyclohexanedione [mi]

63. A805613

64. Q418261

65. 2,2 Dimethyl,1,6 Cyclohexa Dione; Dimedone

66. Q-200991

67. F0001-0386

68. Z104474686

69. Inchi=1/c8h12o2/c1-8(2)4-6(9)3-7(10)5-8/h3-5h2,1-2h

70. 5,5-dimethyl-1,3-cyclohexanedione, For Hplc Derivatization, For The Determination Of Aldehyde Formaldehyde, >=99.0%

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₂O₂
Molecular Weight	140.18 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	34.1
Heavy Atom Count	10
Formal Charge	0
Complexity	162
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