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Also known as: 7077-05-6, 62067-45-2, 7084-93-7, 4-isopropylcyclohexanecarboxylic acid, Cis-4-isopropylcyclohexanecarboxylic acid, Trans-4-isopropylcyclohexane carboxylic acid
Molecular Formula
C10H18O2
Molecular Weight
170.25  g/mol
InChI Key
YRQKWRUZZCBSIG-UHFFFAOYSA-N
FDA UNII
J76GYT4RZX

CAS 7077-05-6
1 2D Structure

CAS 7077-05-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-propan-2-ylcyclohexane-1-carboxylic acid
2.1.2 InChI
InChI=1S/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)
2.1.3 InChI Key
YRQKWRUZZCBSIG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)C1CCC(CC1)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
J76GYT4RZX
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 7077-05-6

2. 62067-45-2

3. 7084-93-7

4. 4-isopropylcyclohexanecarboxylic Acid

5. Cis-4-isopropylcyclohexanecarboxylic Acid

6. Trans-4-isopropylcyclohexane Carboxylic Acid

7. Isopropyl-cyclohexanecarboxylic Acid

8. Hexahydrocumic Acid

9. 4-propan-2-ylcyclohexane-1-carboxylic Acid

10. Cyclohexanecarboxylic Acid, 4-(1-methylethyl)-, Trans-

11. Cyclohexanecarboxylic Acid, 4-(1-methylethyl)-

12. 4-isopropylcyclohexane Carboxylic Acid

13. Trans-4-isopropylcyclohexylcarboxylic Acid

14. Trans-4-isopropylcyclohexyl Carboxylic Acid

15. J76gyt4rzx

16. Trans-4-(1-methylethyl)cyclohexanecarboxylic Acid

17. Trans-p-menthan-7-oic Acid

18. Cyclohexanecarboxylic Acid, 4-(1-methylethyl)-, Cis-

19. Trans-4-(1-methylethyl)cyclohexane Carboxylic Acid

20. Mfcd04004145

21. 4-isopropylcyclohexanecarboxylic Acid (cis- And Trans- Mixture)

22. P-isopropylhexahydrobenzoic Acid

23. Cyclohexanecarboxylic Acid, 4-isopropyl-, Trans-

24. (1r,4r)-4-(propan-2-yl)cyclohexane-1-carboxylic Acid

25. Mfcd01734696

26. Cyclohexanecarboxylic Acid, 4-isopropyl-

27. Einecs 230-385-2

28. 4-iso-propylcyclohexanecarboxylic Acid

29. Nsc 124041

30. Nateglinide Impurity A

31. Trans-p-isopropylcyclohexanecarboxylic Acid

32. Unii-j76gyt4rzx

33. Trans-4-isopropyl Cyclohexane Carboxylic Acid

34. Cyclohexanecarboxylic Acid, 4-isopropyl-, Cis-

35. Schembl824154

36. Cyclohexanecarboxylicacid, 4-(1-methylethyl)-, Cis-

37. Nateglinide Related Compound A

38. 4-isopropylcyclohexanecarboxylic

39. Schembl1692318

40. Schembl10270877

41. Schembl13917841

42. Schembl14620731

43. Dtxsid00884281

44. Dtxsid20884283

45. Dtxsid50977652

46. Nsc28951

47. Zinc6130108

48. Einecs 230-375-8

49. Ac7772

50. Mfcd19706019

51. Nsc 28951

52. Nsc-28951

53. Nsc124041

54. Stk661653

55. Akos004093386

56. Akos006344479

57. Zinc100003956

58. Zinc100805237

59. 4-isopropyl Cyclohexane Carboxylic Acid

60. Ac-4554

61. Cis-4-isopropylcyclohexanecarboxylicacid

62. Cs-w023032

63. Gs-3182

64. Nsc-124041

65. Sb44777

66. As-10826

67. As-83236

68. Sy031424

69. 4-(propan-2-yl)cyclohexanecarboxylic Acid

70. Db-055449

71. Db-073045

72. Trans-4-iso-propylcyclohexanecarboxylic Acid

73. Am20070511

74. Ft-0627010

75. Ft-0636350

76. I0664

77. I0874

78. Nateglinide Impurity A [ep Impurity]

79. Trans-4-iso-propylcyclo-hexanecarboxylic Acid

80. (1r,4r)-4-isopropylcyclohexanecarboxylic Acid

81. 4-(propan-2-yl)cyclohexane-1-carboxylic Acid

82. A25074

83. Cis-4-isopropylcyclohexanecarboxylic Acid, 97%

84. T72718

85. 067i452

86. 4alpha-isopropylcyclohexane-1alpha-carboxylic Acid

87. A833561

88. A1-00910

89. W-104541

90. Nateglinide Related Compound A [usp Impurity]

91. (1s,4s)-4-(propan-2-yl)cyclohexane-1-carboxylic Acid

92. F2191-0123

93. Z1696844472

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 170.25 g/mol
Molecular Formula C10H18O2
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass170.130679813 g/mol
Monoisotopic Mass170.130679813 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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