Cas no 61847-86-7 (1-Hexacosyne)

1-Hexacosyne structure
1-Hexacosyne structure
Product Name:1-Hexacosyne
CAS No:61847-86-7
MF:C26H50
MW:362.675208568573
CID:390718
PubChem ID:54411553
Update Time:2025-04-19

1-Hexacosyne Chemical and Physical Properties

Names and Identifiers

    • 1-Hexacosyne
    • hexacos-1-yne
    • 61847-86-7
    • DTXSID70711151
    • Inchi: 1S/C26H50/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h1H,4-26H2,2H3
    • InChI Key: XJOQNDHCYRZZBQ-UHFFFAOYSA-N
    • SMILES: C(CCCCCCCCCCCC#C)CCCCCCCCCCCC

Computed Properties

  • Exact Mass: 362.391251595g/mol
  • Monoisotopic Mass: 362.391251595g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 22
  • Complexity: 282
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 13.3
  • Topological Polar Surface Area: 0?2
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