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    CAS 630-19-3

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 630-19-3, Pivalaldehyde, Pivaldehyde, 2,2-dimethylpropanal, Propanal, 2,2-dimethyl-, 2,2-dimethylpropionaldehyde
    Molecular Formula
    C5H10O
    Molecular Weight
    86.13  g/mol
    InChI Key
    FJJYHTVHBVXEEQ-UHFFFAOYSA-N
    FDA UNII
    SSC20260QW
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,2-dimethylpropanal
    2.1.2 InChI
    InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3
    2.1.3 InChI Key
    FJJYHTVHBVXEEQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)C=O
    2.2 Other Identifiers
    2.2.1 UNII
    SSC20260QW
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Pivaldehyde

    2.3.2 Depositor-Supplied Synonyms

    1. 630-19-3

    2. Pivalaldehyde

    3. Pivaldehyde

    4. 2,2-dimethylpropanal

    5. Propanal, 2,2-dimethyl-

    6. 2,2-dimethylpropionaldehyde

    7. Neopentanal

    8. Pivalic Aldehyde

    9. Tert-valeraldehyde

    10. Trimethyl Acetaldehyde

    11. Nsc 22043

    12. .alpha.,.alpha.-dimethylpropionaldehyde

    13. Ssc20260qw

    14. Nsc-22043

    15. Mfcd00006962

    16. Alpha,alpha-dimethylpropanal

    17. Pivalaldeyde

    18. Unii-ssc20260qw

    19. Pvalaldehyde

    20. Tert-pentanal

    21. Alpha,alpha-dimethylpropionaldehyde

    22. Einecs 211-134-6

    23. Trimethylacetoaldehyde

    24. Trirnethylacetaldehyde

    25. Pivalaldehyde-[d9]

    26. Neopentaldehyde

    27. Trimethyl-acetaldehyde

    28. Tert-c4h9cho

    29. Ai3-33229

    30. Triethylacetaldehyde

    31. 2,2-dimethyl-1-propanal

    32. Pivalaldehyde [mi]

    33. Trimethylacetaldehyde, 96%

    34. 2,2-dimethyl-propionaldehyde

    35. Dtxsid2060888

    36. .alpha.,.alpha.-dimethylpropanal

    37. Chebi:141557

    38. Amy14201

    39. Bcp24105

    40. Nsc22043

    41. Str05593

    42. Zinc1589727

    43. Akos009143619

    44. P0847

    45. D78124

    46. A834155

    47. J-523980

    48. Q2097441

    49. F2191-0164

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 86.13 g/mol
    Molecular Formula C5H10O
    XLogP31.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass86.073164938 g/mol
    Monoisotopic Mass86.073164938 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count6
    Formal Charge0
    Complexity49.4
    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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