Cas no 1002-34-2 (1,5-Octadiene)

1,5-Octadiene structure
1,5-Octadiene structure
Product Name:1,5-Octadiene
CAS No:1002-34-2
MF:C8H14
MW:110.196762561798
CID:1125304
PubChem ID:524697
Update Time:2025-04-20

1,5-Octadiene Chemical and Physical Properties

Names and Identifiers

    • 1,5-Octadiene
    • octa-1,5-diene
    • octa-3,7-dien
    • 1002-34-2
    • HITROERJXNWVOI-UHFFFAOYSA-N
    • Inchi: 1S/C8H14/c1-3-5-7-8-6-4-2/h3,6,8H,1,4-5,7H2,2H3
    • InChI Key: HITROERJXNWVOI-UHFFFAOYSA-N
    • SMILES: C(C=CCC)CC=C

Computed Properties

  • Exact Mass: 110.10955g/mol
  • Monoisotopic Mass: 110.10955g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 4
  • Complexity: 70.1
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Molecular Weight: 110.2g/mol
  • XLogP3: 3.1
  • Topological Polar Surface Area: 0?2
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