CAS 556-48-9

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Also known as: Cis-1,4-cyclohexanediol, Cyclohexane-1,4-diol, Trans-1,4-cyclohexanediol, 556-48-9, 6995-79-5, 931-71-5

Molecular Formula

C₆H₁₂O₂

Molecular Weight

116.16 g/mol

InChI Key

VKONPUDBRVKQLM-UHFFFAOYSA-N

1 2D Structure

CAS 556-48-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

cyclohexane-1,4-diol

2.1.2 InChI

InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2

2.1.3 InChI Key

VKONPUDBRVKQLM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(CCC1O)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. (cis)-isomer Of 1,4-cyclohexanediol

2. (trans)-isomer Of 1,4-cyclohexanediol

3. Cis-1,4-cyclohexanediol

4. Trans-1,4-cyclohexanediol

2.2.2 Depositor-Supplied Synonyms

1. Cis-1,4-cyclohexanediol

2. Cyclohexane-1,4-diol

3. Trans-1,4-cyclohexanediol

4. 556-48-9

5. 6995-79-5

6. 931-71-5

7. Trans-cyclohexane-1,4-diol

8. 1,4-cyclohexanediol, Trans-

9. Quinitol

10. Cis-cyclohexane-1,4-diol

11. 1,4-cyclohexanediol, Cis-

12. Trans-1,4-dihydroxycyclohexane

13. Mfcd00001448

14. Cis-1,4-dihydroxycyclohexane

15. Mfcd00063612

16. Hexahydrohydroquinone

17. 1,4-cyclohexandiol

18. Quinitol,c&t

19. (1r,4r)-cyclohexane-1,4-diol

20. 1,4-cyclohexanediol, Cis + Trans

21. Nsc 5730

22. Einecs 209-126-2

23. Einecs 213-240-8

24. Ai3-06464

25. Ai3-52305

26. 1,4-dihydroxycyclohexane

27. 1,4-cyclohexanediol,c&t

28. Cis-4-hydroxy-cyclohexanol

29. 1,4-cyclohexanediol(mixture Of Cis And Trans)

30. 1alpha,4beta-cyclohexanediol

31. Schembl28182

32. 1,4-cyclohexanediol, 99%

33. 1alpha,4alpha-cyclohexanediol

34. Schembl102859

35. Schembl275681

36. Schembl787503

37. 1,4-cyclohexanediol, (e)-

38. 1,4-cyclohexanediol, (z)-

39. 1,4-cyclohexanediol Cis+trans

40. (trans)-cyclohexane-1,4-diol

41. Chembl3948618

42. (1s,4s)-cyclohexane-1,4-diol

43. Dtxsid20871178

44. Dtxsid60878843

45. Dtxsid60883614

46. Nsc5651

47. Nsc5730

48. Zinc158004

49. Act03299

50. Nsc 5651

51. Nsc-5651

52. Nsc-5730

53. Str08594

54. Mfcd00075462

55. Rac-(1s,4s)-cyclohexane-1,4-diol

56. Td8009

57. Akos006282972

58. Akos006283462

59. Akos015912876

60. Zinc100006990

61. Zinc100026202

62. Ab02551

63. Cs-w005575

64. Cs-w007850

65. Pb27420

66. As-50386

67. Sy001809

68. Sy040970

69. 1.4-cyclohexanediol (cis & Trans Mixture)

70. Db-003159

71. Db-008704

72. Cs-0049754

73. Ft-0606824

74. Ft-0726556

75. 1,4-cyclohexanediol,mixture Of Cis And Trans

76. En300-75448

77. 1,4-cyclohexanediol (cis- And Trans- Mixture)

78. P10063

79. 931c715

80. 995c795

81. A830732

82. J-700165

83. Q-200861

84. Q-201852

85. Q16912255

86. Z1259155926

87. 71j

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₂O₂
Molecular Weight	116.16 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	116.083729621 g/mol
Monoisotopic Mass	116.083729621 g/mol
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	54.9
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