Cas no 4747-05-1 (1,3-Butadiene, 2-ethoxy-)

1,3-Butadiene, 2-ethoxy- structure
1,3-Butadiene, 2-ethoxy- structure
Product Name:1,3-Butadiene, 2-ethoxy-
CAS No:4747-05-1
MF:C6H10O
MW:98.1430020332336
CID:1518224
PubChem ID:10678193
Update Time:2025-04-21

1,3-Butadiene, 2-ethoxy- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Butadiene, 2-ethoxy-
    • 4747-05-1
    • 2-ethoxybutadiene
    • 2-ethoxy-buta-1,3-diene
    • DTXSID60443297
    • Inchi: 1S/C6H10O/c1-4-6(3)7-5-2/h4H,1,3,5H2,2H3
    • InChI Key: NKKSFXOEWMZVTO-UHFFFAOYSA-N
    • SMILES: O(C(=C)C=C)CC

Computed Properties

  • Exact Mass: 98.0732
  • Monoisotopic Mass: 98.073164938g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 3
  • Complexity: 74.2
  • 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
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23
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