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  • [Synonyms]
    ISOBUTYL STEARATE
    Stearic acid, isobutyl ester
    2-Methylpropyl octadecanoate
    Octadecanoic acid, 2-methylpropyl ester
    HSDB 2177
    Stearic acid, 2-methylpropyl ester
    EINECS 211-466-1
    BRN 1792857
    LS-146681
    3-02-00-01017 (Beilstein Handbook Reference)

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight340.58356 [g/mol]
    Molecular FormulaC22H44O2
    XLogP8.4
    H-Bond Donor0
    H-Bond Acceptor2
    Rotatable Bond Count19
    Exact Mass340.334131
    MonoIsotopic Mass340.334131
    Topological Polar Surface Area26.3
    Heavy Atom Count24
    Formal Charge0
    Complexity261
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 2-methylpropyl octadecanoate
    Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(C)C
    InChI: InChI=1/C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-
    20-21(2)3/h21H,4-20H2,1-3H3



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