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    6065-63-0

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    2D Structure
    Also known as: 6065-63-0, Diethyl 2,2-dipropylmalonate, Diethyl 2,2-dipropylpropanedioate, Diethyl di-n-propylmalonate, Dtxsid7057783, Dipropyl-malonic acid diethyl ester
    Molecular Formula
    C13H24O4
    Molecular Weight
    244.33  g/mol
    InChI Key
    NNDOHYGFLASMFR-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    diethyl 2,2-dipropylpropanedioate
    2.1.2 InChI
    InChI=1S/C13H24O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-10H2,1-4H3
    2.1.3 InChI Key
    NNDOHYGFLASMFR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCC(CCC)(C(=O)OCC)C(=O)OCC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 6065-63-0

    2. Diethyl 2,2-dipropylmalonate

    3. Diethyl 2,2-dipropylpropanedioate

    4. Diethyl Di-n-propylmalonate

    5. Dtxsid7057783

    6. Dipropyl-malonic Acid Diethyl Ester

    7. Diethyl-dipropylmalonate

    8. Diethyldipropyl Malonate

    9. Propanedioic Acid, Dipropyl-, Diethyl Ester

    10. Einecs 227-998-2

    11. Di-n-propylmalonic Acid Diethyl Ester

    12. Malonic Acid, Dipropyl-, Diethyl Ester

    13. Ec 227-998-2

    14. Schembl2353115

    15. Chembl3184366

    16. Diethyl 2,2-dipropylmalonate #

    17. Dtxcid8031572

    18. Dipropylmalonic Acid Diethyl Ester

    19. Tox21_113799

    20. Mfcd00026840

    21. Nsc163902

    22. Akos009159345

    23. 1,3-diethyl 2,2-dipropylpropanedioate

    24. Cs-w012737

    25. Nsc 163902

    26. Nsc-163902

    27. Ncgc00253675-01

    28. Ls-14249

    29. Cas-6065-63-0

    30. Db-053683

    31. D2762

    32. Ns00008852

    33. H11283

    34. A832830

    35. Sr-01000944906

    36. Sr-01000944906-1

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 244.33 g/mol
    Molecular Formula C13H24O4
    XLogP33.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count10
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area52.6
    Heavy Atom Count17
    Formal Charge0
    Complexity222
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1