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    Technical details about Isododecane, learn more about the structure, uses, toxicity, action, side effects and more

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    Isododecane

    ACTIVE PHARMA INGREDIENTS

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    $ API Ref.Price (USD/KG) : 5Xls

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    2D Structure
    Also known as: Isododecane, 7045-71-8, Undecane, 2-methyl-, 31807-55-3, 2-methylhendecane, H40fl8477b
    Molecular Formula
    C12H26
    Molecular Weight
    170.33  g/mol
    InChI Key
    GTJOHISYCKPIMT-UHFFFAOYSA-N
    FDA UNII
    H40FL8477B
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-methylundecane
    2.1.2 InChI
    InChI=1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3
    2.1.3 InChI Key
    GTJOHISYCKPIMT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCC(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    H40FL8477B
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Isododecane

    2. 7045-71-8

    3. Undecane, 2-methyl-

    4. 31807-55-3

    5. 2-methylhendecane

    6. H40fl8477b

    7. Isodo-decane

    8. Unii-h40fl8477b

    9. Einecs 230-323-4

    10. Einecs 250-816-8

    11. Isododecane Mixture Of Isomers

    12. Dtxsid50873241

    13. Zinc2575425

    14. Mfcd00036106

    15. Akos015912736

    16. Ft-0715064

    17. M0239

    18. Q2813826

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 170.33 g/mol
    Molecular Formula C12H26
    XLogP36.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count8
    Exact Mass170.203450829 g/mol
    Monoisotopic Mass170.203450829 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity74.1
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1