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    Dyskinebyl

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    2D Structure
    Also known as: Dyskinebyl, 821-33-0, Diskin, 2-butanol, 4,4'-oxybis-, Colenormol, Oxydibutanol
    Molecular Formula
    C8H18O3
    Molecular Weight
    162.23  g/mol
    InChI Key
    AFSYRVDDZGJTIL-UHFFFAOYSA-N
    FDA UNII
    CR6X2Y7NRR
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(3-hydroxybutoxy)butan-2-ol
    2.1.2 InChI
    InChI=1S/C8H18O3/c1-7(9)3-5-11-6-4-8(2)10/h7-10H,3-6H2,1-2H3
    2.1.3 InChI Key
    AFSYRVDDZGJTIL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(CCOCCC(C)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    CR6X2Y7NRR
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4,4'-oxybis-2-butanol

    2. 4,4'-oxydi-2-butanol, 2-(14)c-labeled

    3. Debutil

    4. Dhdbe

    5. Dihydroxybutyl Ether

    6. Dihydroxydibutylether

    7. Dis-cinil

    2.3.2 Depositor-Supplied Synonyms

    1. Dyskinebyl

    2. 821-33-0

    3. Diskin

    4. 2-butanol, 4,4'-oxybis-

    5. Colenormol

    6. Oxydibutanol

    7. Discinil

    8. 4-(3-hydroxybutoxy)butan-2-ol

    9. Dihydroxydibutylether

    10. Cr6x2y7nrr

    11. Bis(3-hydroxybutyl) Ether

    12. 4,4'-oxybis(butan-2-ol)

    13. 4,4'-oxybisbutan-2-ol

    14. Boutybil

    15. 5-oxa-2,8-nonandiol

    16. Unii-cr6x2y7nrr

    17. 2-butanol, 4,4'-oxydi-

    18. Hydroxybutyloxide

    19. Einecs 212-475-3

    20. 1,1'-dimethyl-3,3'-oxydipropanol

    21. Dis-cinil

    22. Schembl620600

    23. Dtxsid70870777

    24. Chebi:134793

    25. Hydroxybutyloxide [who-dd]

    26. Dhbe (dihydroxydibutylether)

    27. 4,4'-oxydi-2-butanol [mi]

    28. Db14079

    29. Q27275685

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 162.23 g/mol
    Molecular Formula C8H18O3
    XLogP30.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass162.125594432 g/mol
    Monoisotopic Mass162.125594432 g/mol
    Topological Polar Surface Area49.7 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity75.4
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1