Cas no 1603-01-6 (1,4-Heptadiene,3-methyl-)

1,4-Heptadiene,3-methyl- structure
1,4-Heptadiene,3-methyl- structure
Product Name:1,4-Heptadiene,3-methyl-
CAS No:1603-01-6
MF:C8H14
MW:110.196762561798
CID:147929
PubChem ID:5367580
Update Time:2025-04-19

1,4-Heptadiene,3-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Heptadiene,3-methyl-
    • 3-Methyl-1,4-heptadiene
    • (4E)-3-methylhepta-1,4-diene
    • (4E)-3-Methyl-1,4-heptadiene #
    • NS00121239
    • 1603-01-6
    • FBJNXQPYIFUANI-VOTSOKGWSA-N
    • 3-methyl-1,4-heptadiene,
    • 1,4-Heptadiene, 3-methyl-
    • Inchi: 1S/C8H14/c1-4-6-7-8(3)5-2/h5-8H,2,4H2,1,3H3/b7-6+
    • InChI Key: FBJNXQPYIFUANI-VOTSOKGWSA-N
    • SMILES: C(C=C)(C)/C=C/CC

Computed Properties

  • Exact Mass: 110.10962
  • Monoisotopic Mass: 110.109550447g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 80
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0
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