Cas no 88457-46-9 (Benzene, 1,1'-[1,8-octanediylbis(oxy)]bis[4-nonyl-)

Benzene, 1,1'-[1,8-octanediylbis(oxy)]bis[4-nonyl- structure
88457-46-9 structure
Product Name:Benzene, 1,1'-[1,8-octanediylbis(oxy)]bis[4-nonyl-
CAS No:88457-46-9
MF:C38H62O2
MW:550.897692203522
CID:632149
PubChem ID:71318076
Update Time:2025-04-19

Benzene, 1,1'-[1,8-octanediylbis(oxy)]bis[4-nonyl- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,1'-[1,8-octanediylbis(oxy)]bis[4-nonyl-
    • 1-nonyl-4-[8-(4-nonylphenoxy)octoxy]benzene
    • DTXSID80748251
    • 1,1'-[Octane-1,8-diylbis(oxy)]bis(4-nonylbenzene)
    • 88457-46-9
    • Inchi: 1S/C38H62O2/c1-3-5-7-9-11-15-19-23-35-25-29-37(30-26-35)39-33-21-17-13-14-18-22-34-40-38-31-27-36(28-32-38)24-20-16-12-10-8-6-4-2/h25-32H,3-24,33-34H2,1-2H3
    • InChI Key: QXOPKALJJPSADD-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)CCCCCCCCC)CCCCCCCCOC1C=CC(=CC=1)CCCCCCCCC

Computed Properties

  • Exact Mass: 550.47498122g/mol
  • Monoisotopic Mass: 550.47498122g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 27
  • Complexity: 458
  • 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: 15.2
  • Topological Polar Surface Area: 18.5?2
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