Cas no 18304-14-8 (1,3,5-Heptatriene, 6-methyl-, (3E)-)

1,3,5-Heptatriene, 6-methyl-, (3E)- structure
18304-14-8 structure
Product Name:1,3,5-Heptatriene, 6-methyl-, (3E)-
CAS No:18304-14-8
MF:C8H12
MW:108.180882453918
CID:1381727
PubChem ID:5462931
Update Time:2025-04-20

1,3,5-Heptatriene, 6-methyl-, (3E)- Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Heptatriene, 6-methyl-, (3E)-
    • (E)-6-methyl-1,3,5-heptatriene
    • 1,3,5-Heptatriene, 6,6-dimethyl-, (E,E)-
    • 1,3,5-Heptatriene, 6,6-dimethyl-, (E)-
    • 18304-14-8
    • DTXSID801305110
    • (3E)-6-Methyl-1,3,5-heptatriene
    • 16895-46-8
    • Inchi: 1S/C8H12/c1-4-5-6-7-8(2)3/h4-7H,1H2,2-3H3/b6-5+
    • InChI Key: ACENFYRHGWWZOA-AATRIKPKSA-N
    • SMILES: C(=C/C=C/C=C)(/C)\C

Computed Properties

  • Exact Mass: 108.093900383g/mol
  • Monoisotopic Mass: 108.093900383g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 112
  • 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
  • XLogP3: 3.3
  • Topological Polar Surface Area: 0?2
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