Cas no 112683-29-1 (2-Hexene, 6-iodo-, (2E)-)

2-Hexene, 6-iodo-, (2E)- is a halogenated alkene with the molecular formula C?H??I. This compound features an iodine substituent at the 6-position and a trans-configuration (E) double bond at the 2-position, making it a valuable intermediate in organic synthesis. Its structural features enable selective functionalization, particularly in cross-coupling reactions such as Heck or Suzuki couplings, due to the reactive iodine moiety. The (E)-configuration ensures predictable stereochemical outcomes in synthetic applications. This compound is useful in pharmaceutical and materials chemistry for constructing complex molecules. High purity and well-defined stereochemistry make it a reliable choice for research and industrial applications requiring precise control over molecular architecture.
2-Hexene, 6-iodo-, (2E)- structure
2-Hexene, 6-iodo-, (2E)- structure
Product Name:2-Hexene, 6-iodo-, (2E)-
CAS No:112683-29-1
MF:C6H11I
MW:210.056014299393
CID:1200484
PubChem ID:11074645
Update Time:2025-05-28

2-Hexene, 6-iodo-, (2E)- Chemical and Physical Properties

Names and Identifiers

    • 2-Hexene, 6-iodo-, (2E)-
    • trans-4-hexenyl iodide
    • EN300-7460288
    • (E)-6-iodohex-2-ene
    • (2E)-6-iodohex-2-ene
    • G51038
    • 6-Iodo-2-hexene
    • 112683-29-1
    • SCHEMBL11251637
    • Inchi: 1S/C6H11I/c1-2-3-4-5-6-7/h2-3H,4-6H2,1H3/b3-2+
    • InChI Key: WWRXMKQRGARTAB-NSCUHMNNSA-N
    • SMILES: ICCC/C=C/C

Computed Properties

  • Exact Mass: 116.01092
  • Monoisotopic Mass: 209.99055g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 3
  • Complexity: 48.1
  • 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
  • XLogP3: 3.4
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 74.6

2-Hexene, 6-iodo-, (2E)- Pricemore >>

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