Cas no 5406-34-8 (1,3-Dioxane,5,5-dimethyl-2-(1-propen-1-yl)-)

1,3-Dioxane,5,5-dimethyl-2-(1-propen-1-yl)- structure
5406-34-8 structure
Product Name:1,3-Dioxane,5,5-dimethyl-2-(1-propen-1-yl)-
CAS No:5406-34-8
MF:C9H16O2
MW:156.222143173218
CID:379812
PubChem ID:5354352
Update Time:2025-04-19

1,3-Dioxane,5,5-dimethyl-2-(1-propen-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dioxane,5,5-dimethyl-2-(1-propen-1-yl)-
    • 5,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxane
    • SCHEMBL9336557
    • DTXSID70417782
    • NSC6990
    • NSC-6990
    • 5406-34-8
    • Inchi: 1S/C9H16O2/c1-4-5-8-10-6-9(2,3)7-11-8/h4-5,8H,6-7H2,1-3H3/b5-4+
    • InChI Key: ZGRCBOBWCLZHKO-SNAWJCMRSA-N
    • SMILES: O1C(/C=C/C)OCC(C)(C)C1

Computed Properties

  • Exact Mass: 156.11508
  • Monoisotopic Mass: 156.11503
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 140
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 18.5
  • XLogP3: 1.9

Experimental Properties

  • Density: 0.959
  • Boiling Point: 178°C at 760 mmHg
  • Flash Point: 54.5°C
  • Refractive Index: 1.485
  • PSA: 18.46
  • LogP: 1.96160
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