Cas no 138328-78-6 (Triethoxy[4-(pyren-1-YL)butyl]silane)

Triethoxy[4-(pyren-1-YL)butyl]silane structure
138328-78-6 structure
Product Name:Triethoxy[4-(pyren-1-YL)butyl]silane
CAS No:138328-78-6
MF:C26H32O3Si
MW:420.615988731384
CID:2772874
PubChem ID:71342080
Update Time:2025-04-21

Triethoxy[4-(pyren-1-YL)butyl]silane Chemical and Physical Properties

Names and Identifiers

    • DTXSID50768885
    • 138328-78-6
    • TRIETHOXY[4-(PYREN-1-YL)BUTYL]SILANE
    • Triethoxy[4-(pyren-1-YL)butyl]silane
    • Inchi: 1S/C26H32O3Si/c1-4-27-30(28-5-2,29-6-3)19-8-7-10-20-13-14-23-16-15-21-11-9-12-22-17-18-24(20)26(23)25(21)22/h9,11-18H,4-8,10,19H2,1-3H3
    • InChI Key: IWVLKSBAOZJBTD-UHFFFAOYSA-N
    • SMILES: [Si](CCCCC1C=CC2=CC=C3C=CC=C4C=CC=1C2=C43)(OCC)(OCC)OCC

Computed Properties

  • Exact Mass: 420.21207141Da
  • Monoisotopic Mass: 420.21207141Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 11
  • Complexity: 509
  • 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
  • Topological Polar Surface Area: 27.7?2
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