Cas no 1173022-09-7 (dideuterio-[3-[dideuterio(hydroxy)methyl]cyclohexyl]methanol)

dideuterio-[3-[dideuterio(hydroxy)methyl]cyclohexyl]methanol structure
1173022-09-7 structure
Product Name:dideuterio-[3-[dideuterio(hydroxy)methyl]cyclohexyl]methanol
CAS No:1173022-09-7
MF:C8H16O2
MW:148.236089706421
CID:2615301
PubChem ID:71309268
Update Time:2025-04-21

dideuterio-[3-[dideuterio(hydroxy)methyl]cyclohexyl]methanol Chemical and Physical Properties

Names and Identifiers

    • dideuterio-[3-[dideuterio(hydroxy)methyl]cyclohexyl]methanol
    • (Cyclohexane-1,3-diyl)di(~2~H_2_)methanol
    • 1173022-09-7
    • DTXSID40745807
    • DTXCID30696551
    • Inchi: 1S/C8H16O2/c9-5-7-2-1-3-8(4-7)6-10/h7-10H,1-6H2/i5D2,6D2
    • InChI Key: LUSFFPXRDZKBMF-NZLXMSDQSA-N
    • SMILES: OC([2H])([2H])C1CCCC(C([2H])([2H])O)C1

Computed Properties

  • Exact Mass: 148.140136733Da
  • Monoisotopic Mass: 148.140136733Da
  • Isotope Atom Count: 4
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 83.3
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 40.5?2
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