Monooctanoin

Synopsis, Chemistry

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Also known as: Monocaprylin, Monoctanoin, 502-54-5, 26402-26-6, 1-monocaprylin, 1-octanoyl-rac-glycerol

Molecular Formula

C₁₁H₂₂O₄

Molecular Weight

218.29 g/mol

InChI Key

GHBFNMLVSPCDGN-UHFFFAOYSA-N

FDA UNII

MCF579Z59B

Monoctanoin is used to dissolve cholesterol gallstones.

1 2D Structure

Monooctanoin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-dihydroxypropyl octanoate

2.1.2 InChI

InChI=1S/C11H22O4/c1-2-3-4-5-6-7-11(14)15-9-10(13)8-12/h10,12-13H,2-9H2,1H3

2.1.3 InChI Key

GHBFNMLVSPCDGN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCC(=O)OCC(CO)O

2.2 Other Identifiers

2.2.1 UNII

MCF579Z59B

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Capmul

2. Capmul 8210

3. Glycerol-1-monooctanoate

4. Glyceryl Caprylate

5. Glyceryl Monocaprylate

6. Glyceryl-1-monooctanoate

7. Moctanin

8. Mono-octanoin

9. Monocaprylin

10. Monoctanoin

11. Monooctanoin

2.3.2 Depositor-Supplied Synonyms

1. Monocaprylin

2. Monoctanoin

3. 502-54-5

4. 26402-26-6

5. 1-monocaprylin

6. 1-octanoyl-rac-glycerol

7. Glyceryl Caprylate

8. Monooctanoin

9. Glyceryl 1-caprylate

10. Alpha-monocaprylin

11. Capmul

12. Glyceryl 1-monooctanoate

13. Moctanin

14. Glyceryl Monooctanoate

15. 1-monooctanoin

16. 1-monooctanoylglycerol

17. Octanoic Acid 1-monoglyceride

18. Dl-1-monooctanoin

19. Glycerol-1-monooctanoate

20. 1-monocapryloyl-rac-glycerol

21. Monoctanoin Component A

22. 19670-49-6

23. Glyceryl-1-caprylate

24. 1-monooctanoyl Glycerol

25. Glycerol Alpha-monooctanoate

26. Mls000028614

27. Mcf579z59b

28. Chebi:85241

29. Octanoic Acid, Monoester With 1,2,3-propanetriol

30. Ncgc00166144-02

31. Smr000058702

32. Dsstox_cid_22006

33. Dsstox_rid_82754

34. Dsstox_gsid_48383

35. Glycerin Monocaprylate

36. Octanoin, Mono-

37. Cas-502-54-5

38. Imwitor 308

39. Sunsoft 700p

40. Glycerol Monocaprylate

41. Glyceryl Monocaprylate

42. Sunsoft 700p2

43. Capmul Mcm-c 8

44. Sefsol 318

45. Octanoic Acid, 2,3-dihydroxypropyl Ester

46. Unii-tm2tzd4g4a

47. Caprylic Acid Monoglyceride

48. Poem M 100

49. Octanoic Acid, Monoester With Glycerol

50. Unii-mcf579z59b

51. Glyceryl Octanoate

52. 1-octanoylglycerol

53. Einecs 247-668-1

54. Rac-glyceryl Octanoate

55. Rac-1-octanoylglycerol

56. Opera_id_860

57. (rs)-glyceryl Octanoate

58. (+-)-glyceryl Octanoate

59. (rs)-1-octanoylglycerol

60. Rac-1-monooctanoylglycerol

61. Tm2tzd4g4a

62. (+-)-1-octanoylglycerol

63. Dsstox_rid_79900

64. Glycerol 1-octanoate

65. Dsstox_gsid_42006

66. Schembl119681

67. Chembl1570482

68. Dtxsid6048383

69. Caprylic Acid Alpha-monoglyceride

70. Chebi:84309

71. Mag 8:0

72. Rac-2,3-dihydroxypropyl Octanoate

73. Hms2234b09

74. 1-octanoyl-rac-glycerol, >=99%

75. Glycerol 1-octanoate [mi]

76. (rs)-2,3-dihydroxypropyl Octanoate

77. Tox21_112338

78. Tox21_301535

79. Mfcd00056652

80. S3499

81. (+-)-2,3-dihydroxypropyl Octanoate

82. Akos015911480

83. Tox21_112338_1

84. Cs-w013160

85. Db06801

86. Hy-w012444

87. Ncgc00166144-01

88. Ncgc00166144-03

89. Ncgc00255840-01

90. Ls-14027

91. Cas-26402-26-6

92. Db-114284

93. Ft-0765270

94. M1071

95. F17078

96. J-012717

97. Q6901490

98. (s)-3,3,3-trifluoro-2-hydroxy-2-methylpropionicacid

99. 159182-10-2

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₂₂O₄
Molecular Weight	218.29 g/mol
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	218.15180918 g/mol
Monoisotopic Mass	218.15180918 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	159
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1