Cas no 62547-87-9 (1,4-Dioxaspiro[4.5]decane-6-propanol)

1,4-Dioxaspiro[4.5]decane-6-propanol structure
62547-87-9 structure
Product Name:1,4-Dioxaspiro[4.5]decane-6-propanol
CAS No:62547-87-9
MF:C11H20O3
MW:200.274703979492
CID:440708
PubChem ID:10726710
Update Time:2025-04-19

1,4-Dioxaspiro[4.5]decane-6-propanol Chemical and Physical Properties

Names and Identifiers

    • 1,4-Dioxaspiro[4.5]decane-6-propanol
    • 3-(1,4-dioxaspiro[4.5]decan-6-yl)propan-1-ol
    • 62547-87-9
    • DTXSID20443995
    • Inchi: 1S/C11H20O3/c12-7-3-5-10-4-1-2-6-11(10)13-8-9-14-11/h10,12H,1-9H2
    • InChI Key: MMDXIPULJZAKKT-UHFFFAOYSA-N
    • SMILES: O1CCOC21CCCCC2CCCO

Computed Properties

  • Exact Mass: 200.1413
  • Monoisotopic Mass: 200.14124450g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 175
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 38.7?2

Experimental Properties

  • PSA: 38.69
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