Cas no 6975-20-8 (dispiro[4.1.4.1]dodecane-6,12-diol)

dispiro[4.1.4.1]dodecane-6,12-diol structure
6975-20-8 structure
Product Name:dispiro[4.1.4.1]dodecane-6,12-diol
CAS No:6975-20-8
MF:C12H20O2
MW:196.286004066467
CID:974178
PubChem ID:228904
Update Time:2025-04-19

dispiro[4.1.4.1]dodecane-6,12-diol Chemical and Physical Properties

Names and Identifiers

    • dispiro[4.1.4.1]dodecane-6,12-diol
    • dispiro[4.1.4<sup>7</sup>.1<sup>5</sup>]dodecane-6,12-diol
    • DTXSID20281596
    • NSC22086
    • NSC-22086
    • 6975-20-8
    • SCHEMBL19628671
    • Inchi: 1S/C12H20O2/c13-9-11(5-1-2-6-11)10(14)12(9)7-3-4-8-12/h9-10,13-14H,1-8H2
    • InChI Key: UXTAELSTMMPOKP-UHFFFAOYSA-N
    • SMILES: OC1C2(CCCC2)C(C21CCCC2)O

Computed Properties

  • Exact Mass: 196.1464
  • Monoisotopic Mass: 196.146
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 195
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Density: 1.17
  • Boiling Point: 325.5°C at 760 mmHg
  • Flash Point: 154.9°C
  • Refractive Index: 1.563
  • PSA: 40.46
  • LogP: 1.84260
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