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2D Structure
Also known as: 2-methylpentanoic acid, 97-61-0, Pentanoic acid, 2-methyl-, 2-pentanecarboxylic acid, Methylpropylacetic acid, Valeric acid, 2-methyl-
Molecular Formula
C6H12O2
Molecular Weight
116.16  g/mol
InChI Key
OVBFMEVBMNZIBR-UHFFFAOYSA-N
FDA UNII
26A19CG6J9

2-Methylvaleric acid has been reported in Pelargonium graveolens with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-methylpentanoic acid
2.1.2 InChI
InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
2.1.3 InChI Key
OVBFMEVBMNZIBR-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
26A19CG6J9
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2-methylpentanoic Acid

2. 97-61-0

3. Pentanoic Acid, 2-methyl-

4. 2-pentanecarboxylic Acid

5. Methylpropylacetic Acid

6. Valeric Acid, 2-methyl-

7. Alpha-methylvaleric Acid

8. Fema No. 2754

9. Dtxsid9021633

10. 26a19cg6j9

11. Nsc-8406

12. Dtxcid401633

13. Chebi:167644

14. Refchem:476306

15. 202-594-9

16. 684-233-9

17. 2-methyl Valeric Acid

18. 2-methyl-pentanoic Acid

19. Kyselina 2-methylvalerova

20. Mfcd00002671

21. 22160-39-0

22. 2-methyl-n-valeric Acid

23. .alpha.-methylvaleric Acid

24. (2rs)-2-methylpentanoic Acid

25. Pentanoic Acid, Methyl-

26. Kyselina 2-methylvalerova [czech]

27. Nsc 8406

28. Einecs 202-594-9

29. 2-methylvalericacid

30. Brn 1720655

31. Unii-26a19cg6j9

32. Ai3-26042

33. 27936-41-0

34. (+)-2-methylpentanoic Acid; (+)-2-methylvaleric Acid; (s)-(+)-2-methylpentanoic Acid; (s)-(+)-2-methylvaleric Acid; (s)-2-methylpentanoic Acid

35. 2-methyl Pentanoic Acid

36. (2s)-2-methylpentanoate

37. Ec 202-594-9

38. N-c3h7ch(ch3)cooh

39. Racemic 2-methylvaleric Acid

40. 2-methylvaleric Acid, 98%

41. 4-02-00-00942 (beilstein Handbook Reference)

42. Schembl148477

43. Schembl276015

44. Schembl297723

45. (+/-)-2-methylvaleric Acid

46. Orb1301585

47. Schembl1081232

48. Schembl3733293

49. Schembl4267595

50. Schembl6176753

51. Schembl9817566

52. (+/-)-2-methylpentanoic Acid

53. Sodium Valproate Ep Impurity L

54. Chembl1204680

55. Schembl15410672

56. Wln: Qvy3 & 1

57. Fema 2754

58. Dl-2-methylpentanoic Acid

59. Nsc8406

60. Hms5086m14

61. 2-methylvaleric Acid [fhfi]

62. Tox21_200935

63. Lmfa01020074

64. S3314

65. Sbb065915

66. 2-methylpentanoic Acid [fcc]

67. (+-)-2-methylpentanoic Acid

68. Akos000120958

69. Akos016843863

70. Cs-w011232

71. Fm01022

72. Hy-w010516

73. Sb47595

74. Cas-97-61-0

75. Ncgc00248880-01

76. Ncgc00258489-01

77. Ls-13176

78. Pd144384

79. Sy015815

80. 2-methylpentanoic Acid, >=98%, Fcc, Fg

81. M0610

82. Ns00008520

83. En300-20163

84. D78086

85. Valproic Acid Impurity L [ep Impurity]

86. F239960

87. Q27254086

88. Z104477112

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 116.16 g/mol
Molecular Formula C6H12O2
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area37.3
Heavy Atom Count8
Formal Charge0
Complexity78.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1