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    Isopropyl Stearate

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 112-10-7, Propan-2-yl octadecanoate, Octadecanoic acid, 1-methylethyl ester, Wickenol 127, 1-methylethyl octadecanoate, Stearic acid, isopropyl ester
    Molecular Formula
    C21H42O2
    Molecular Weight
    326.6  g/mol
    InChI Key
    ZPWFUIUNWDIYCJ-UHFFFAOYSA-N
    FDA UNII
    43253ZW1MZ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    propan-2-yl octadecanoate
    2.1.2 InChI
    InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h20H,4-19H2,1-3H3
    2.1.3 InChI Key
    ZPWFUIUNWDIYCJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCCCC(=O)OC(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    43253ZW1MZ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 112-10-7

    2. Propan-2-yl Octadecanoate

    3. Octadecanoic Acid, 1-methylethyl Ester

    4. Wickenol 127

    5. 1-methylethyl Octadecanoate

    6. Stearic Acid, Isopropyl Ester

    7. Octadecanoic Acid,1-methylethyl Ester

    8. Stearic Acid Isopropyl Ester

    9. 43253zw1mz

    10. Isopropyl Octadecanoate

    11. Einecs 203-934-9

    12. Brn 1791443

    13. Unii-43253zw1mz

    14. Tegosoft S

    15. Schembl43528

    16. Isopropyl Stearate [ii]

    17. Dtxsid5051579

    18. Octadecanoic Acid Isopropyl Ester

    19. Isopropyl Stearate [inci]

    20. Octadecanoic Acid, Isopropyl Ester

    21. Zinc86050948

    22. Akos024334051

    23. At31843

    24. Db-041042

    25. Ft-0631637

    26. Q27258599

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 326.6 g/mol
    Molecular Formula C21H42O2
    XLogP39.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count18
    Exact Mass326.318480578 g/mol
    Monoisotopic Mass326.318480578 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity248
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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