4-isopropyl cyclohexane carboxylic acid

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Chemistry

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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

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 Formula	C₁₀H₁₈O₂
Molecular Weight	170.25 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	170.130679813 g/mol
Monoisotopic Mass	170.130679813 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	155
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