Cas no 41345-53-3 (penta-2,4-diyn-1-ol)

Penta-2,4-diyn-1-ol is a linear aliphatic diyne alcohol with the molecular formula C?H?O. Its unique structure, featuring two triple bonds and a terminal hydroxyl group, makes it a valuable intermediate in organic synthesis, particularly for constructing conjugated systems and acetylenic scaffolds. The compound is utilized in click chemistry, polymer science, and materials research due to its reactivity in Sonogashira couplings and cycloaddition reactions. Its terminal hydroxyl group allows for further functionalization, enhancing its versatility in designing advanced molecular architectures. Penta-2,4-diyn-1-ol is also of interest in pharmaceutical and agrochemical research for developing bioactive compounds with tailored properties.
penta-2,4-diyn-1-ol structure
penta-2,4-diyn-1-ol structure
Product Name:penta-2,4-diyn-1-ol
CAS No:41345-53-3
MF:C5H4O
MW:80.0846614837646
MDL:MFCD19300615
CID:2635208
PubChem ID:638105
Update Time:2025-06-13

penta-2,4-diyn-1-ol Chemical and Physical Properties

Names and Identifiers

    • penta-2,4-diyn-1-ol
    • 41345-53-3
    • 2,4-pentadiyn-1-ol
    • DTXSID10348541
    • DB-163537
    • hydroxymethyl diacetylene
    • DTXCID40299613
    • MDL: MFCD19300615
    • Inchi: 1S/C5H4O/c1-2-3-4-5-6/h1,6H,5H2
    • InChI Key: UZPGJRUGZGUXDE-UHFFFAOYSA-N
    • SMILES: OCC#CC#C

Computed Properties

  • Exact Mass: 80.026214747Da
  • Monoisotopic Mass: 80.026214747Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 1
  • Complexity: 124
  • 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: 0.1
  • Topological Polar Surface Area: 20.2?2

penta-2,4-diyn-1-ol Pricemore >>

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