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    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
    Monooctanoin
    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 Weight 218.29 g/mol
    Molecular Formula C11H22O4
    XLogP32
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count10
    Exact Mass218.15180918 g/mol
    Monoisotopic Mass218.15180918 g/mol
    Topological Polar Surface Area66.8 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity159
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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