Cas no 726193-04-0 ((S)-3-(1,4-Dioxaspiro[4.5]decan-2-yl)propan-1-ol)

(S)-3-(1,4-Dioxaspiro[4.5]decan-2-yl)propan-1-ol structure
726193-04-0 structure
Product Name:(S)-3-(1,4-Dioxaspiro[4.5]decan-2-yl)propan-1-ol
CAS No:726193-04-0
MF:C11H20O3
MW:200.274703979492
CID:558863
Update Time:2023-08-02

(S)-3-(1,4-Dioxaspiro[4.5]decan-2-yl)propan-1-ol Chemical and Physical Properties

Names and Identifiers

    • 1,4-Dioxaspiro[4.5]decane-2-propanol,(2S)-
    • 1,4-Dioxaspiro[4.5]decane-2-propanol,(2S)-(9CI)
    • (S)-3-(1,4-dioxaspiro[4.5]decan-2-yl)propan-1-ol
    • (S)-3-(1,4-Dioxaspiro[4.5]decan-2-yl)propan-1-ol
    • Inchi: 1S/C11H20O3/c12-8-4-5-10-9-13-11(14-10)6-2-1-3-7-11/h10,12H,1-9H2/t10-/m0/s1
    • InChI Key: QETBFBJGMHHSOP-JTQLQIEISA-N
    • SMILES: O1[C@@H](CCCO)COC21CCCCC2

Computed Properties

  • Exact Mass: 200.141
  • Monoisotopic Mass: 200.141
  • 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: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 38.7
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