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    Selachyl Alcohol

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 593-31-7, Glycerol 1-oleyl ether, Oleyl glyceryl ether, 34783-94-3, Octadec-9-enylglycerol, 3-[(z)-octadec-9-enoxy]propane-1,2-diol
    Molecular Formula
    C21H42O3
    Molecular Weight
    342.6  g/mol
    InChI Key
    NRWMBHYHFFGEEC-KTKRTIGZSA-N
    FDA UNII
    9734969CCZ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[(Z)-octadec-9-enoxy]propane-1,2-diol
    2.1.2 InChI
    InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h9-10,21-23H,2-8,11-20H2,1H3/b10-9-
    2.1.3 InChI Key
    NRWMBHYHFFGEEC-KTKRTIGZSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCC=CCCCCCCCCOCC(CO)O
    2.1.5 Isomeric SMILES
    CCCCCCCC/C=C\CCCCCCCCOCC(CO)O
    2.2 Other Identifiers
    2.2.1 UNII
    9734969CCZ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Glyceryl Monooleyl Ether

    2. Selachyl Alcohol, (r-(z))-isomer

    3. Selachyl Alcohol, (s-(z))-isomer

    4. Selachyl Alcohol, (z)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. 593-31-7

    2. Glycerol 1-oleyl Ether

    3. Oleyl Glyceryl Ether

    4. 34783-94-3

    5. Octadec-9-enylglycerol

    6. 3-[(z)-octadec-9-enoxy]propane-1,2-diol

    7. 1-o-octadec-9-enyl Glycerol

    8. (z)-3-(9-octadecenyloxy)propane-1,2-diol

    9. Nsc-29230

    10. Nsc-36089

    11. 9734969ccz

    12. 1,2-propanediol, 3-[(9z)-9-octadecenyloxy]-

    13. Nsc29230

    14. Nsc36089

    15. Unii-9734969ccz

    16. Einecs 209-787-7

    17. (9z)-1-o-octadec-9-enyl Glycerol

    18. Nsc 29230

    19. 1-monooleyl-rac-glycerol

    20. 1-glyceryl Monooleyl Ether

    21. Schembl81179

    22. (z)-(+-)-3-(9-octadecenyloxy)-1,2-propanediol

    23. 1,2-propanediol, 3-(9-octadecenyloxy)-, (z)-

    24. Nikkol Selachyl Alcohol

    25. Oleyl 1-glyceryl Ether

    26. 1-o-(9z-octadecenyl)-glycerol

    27. Chebi:34116

    28. Dtxsid701021791

    29. 1-o-[(z)-9-octadecenyl]glycerol

    30. Oleyl Glyceryl Ether [inci]

    31. (+/-)-oleyl 1-glyceryl Ether

    32. .alpha.-glycerol Monooleyl Ether

    33. .alpha.-monooleyl Glyceryl Ether

    34. 3-[(9z)-octadec-9-en-1-yloxy]propane-1,2-diol

    35. Q27115822

    36. 1,2-propanediol, 3-(9-octadecenyloxy)-, (z)-(+-)-

    37. 1,2-propanediol, 3-((9z)-9-octadecen-1-yloxy)-

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 342.6 g/mol
    Molecular Formula C21H42O3
    XLogP36.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count19
    Exact Mass342.31339520 g/mol
    Monoisotopic Mass342.31339520 g/mol
    Topological Polar Surface Area49.7 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity254
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1