Cas no 3404-65-7 (3-methyl-3-hexene (c,t))

3-methyl-3-hexene (c,t) structure
3-methyl-3-hexene (c,t) structure
Product Name:3-methyl-3-hexene (c,t)
CAS No:3404-65-7
MF:C7H14
MW:98.186062335968
CID:918714
PubChem ID:138074
Update Time:2025-04-19

3-methyl-3-hexene (c,t) Chemical and Physical Properties

Names and Identifiers

    • 3-methyl-3-hexene (c,t)
    • 3-Hexene, 3-methyl
    • 3-Methyl-3-hexene
    • 3-methylhex-3-ene
    • 3-Hexene, 3-methyl-
    • Inchi: 1S/C7H14/c1-4-6-7(3)5-2/h6H,4-5H2,1-3H3
    • InChI Key: FHHSSXNRVNXTBG-UHFFFAOYSA-N
    • SMILES: C(C)(=CCC)CC

Computed Properties

  • Exact Mass: 98.10962
  • Monoisotopic Mass: 98.10955
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 51.1
  • 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
  • Topological Polar Surface Area: 0
  • XLogP3: 3.2

Experimental Properties

  • Density: 0.714
  • Boiling Point: 93.4°C at 760 mmHg
  • Flash Point: °C
  • Refractive Index: 1.414
  • PSA: 0

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