Cas no 13887-00-8 (9-Phosphabicyclo[3.3.1]nonane,9-eicosyl-)

9-Phosphabicyclo[3.3.1]nonane,9-eicosyl- structure
13887-00-8 structure
Product Name:9-Phosphabicyclo[3.3.1]nonane,9-eicosyl-
CAS No:13887-00-8
MF:C28H55P
MW:422.710069894791
CID:166794
PubChem ID:26322
Update Time:2025-04-19

9-Phosphabicyclo[3.3.1]nonane,9-eicosyl- Chemical and Physical Properties

Names and Identifiers

    • 9-Phosphabicyclo[3.3.1]nonane,9-eicosyl-
    • 9-icosyl-9-phosphabicyclo[3.3.1]nonane
    • EICOSYL PHOBANE, MIXTURE OF ISOMERS
    • EINECS 237-652-2
    • EICOSYL PHOBANE
    • 9-eicosyl-9-phosphabicyclo[3.3.1]nonan
    • 9-eicosyl-9-Phosphabicyclo[3.3.1]nonane
    • SCHEMBL317232
    • 9-Phosphabicyclo[3.3.1]nonane, 9-eicosyl-
    • 13887-00-8
    • DTXSID2065672
    • 9-Icosyl-9-phosphabicyclo(3.3.1)nonane
    • 9-Phosphabicyclo(3.3.1)nonane, 9-eicosyl-
    • 9-Eicosyl-9-phosphabicyclo(3.3.1)nonane
    • FT-0746237
    • W-110359
    • NS00051505
    • Inchi: 1S/C28H55P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-29-27-22-20-23-28(29)25-21-24-27/h27-28H,2-26H2,1H3
    • InChI Key: QBUBJAXSVUKLBJ-UHFFFAOYSA-N
    • SMILES: P1(CCCCCCCCCCCCCCCCCCCC)C2CCCC1CCC2

Computed Properties

  • Exact Mass: 422.40400
  • Monoisotopic Mass: 422.40413875g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 19
  • Complexity: 330
  • 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: 11.7
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 13.59000
  • LogP: 10.61500
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