Cas no 55370-32-6 (2,3-diethoxybuta-1,3-diene)

2,3-diethoxybuta-1,3-diene structure
2,3-diethoxybuta-1,3-diene structure
Product Name:2,3-diethoxybuta-1,3-diene
CAS No:55370-32-6
MF:C8H14O2
MW:142.195562839508
CID:1594032
PubChem ID:143272
Update Time:2025-04-21

2,3-diethoxybuta-1,3-diene Chemical and Physical Properties

Names and Identifiers

    • 2,3-diethoxybuta-1,3-diene
    • 1,3-Butadiene, 2,3-diethoxy-
    • 2,3-diethoxy-1,3-Butadiene
    • DTXSID60203919
    • 55370-32-6
    • SCHEMBL13862155
    • Inchi: 1S/C8H14O2/c1-5-9-7(3)8(4)10-6-2/h3-6H2,1-2H3
    • InChI Key: NSCSTEHHIAANDP-UHFFFAOYSA-N
    • SMILES: O(C(=C)C(=C)OCC)CC

Computed Properties

  • Exact Mass: 142.09942
  • Monoisotopic Mass: 142.099
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 111
  • 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: 18.5?2

Experimental Properties

  • Density: 0.871
  • Boiling Point: 192.8°C at 760 mmHg
  • Flash Point: 61.2°C
  • Refractive Index: 1.425
  • PSA: 18.46
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