Cas no 400654-49-1 (4,8-Dimethyl-2-octadecyl-2-phosphabicyclo[3.3.1]nonane)

4,8-Dimethyl-2-octadecyl-2-phosphabicyclo[3.3.1]nonane structure
400654-49-1 structure
Product Name:4,8-Dimethyl-2-octadecyl-2-phosphabicyclo[3.3.1]nonane
CAS No:400654-49-1
MF:C28H55P
MW:422.710069894791
CID:2825818
PubChem ID:21305768
Update Time:2025-04-21

4,8-Dimethyl-2-octadecyl-2-phosphabicyclo[3.3.1]nonane Chemical and Physical Properties

Names and Identifiers

    • DTXSID70612179
    • 400654-49-1
    • 4,8-DIMETHYL-2-OCTADECYL-2-PHOSPHABICYCLO[3.3.1]NONANE
    • 4,8-Dimethyl-2-octadecyl-2-phosphabicyclo[3.3.1]nonane
    • Inchi: 1S/C28H55P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-24-26(3)27-21-20-25(2)28(29)23-27/h25-28H,4-24H2,1-3H3
    • InChI Key: RNMZILCYCHOHLI-UHFFFAOYSA-N
    • SMILES: P1(CCCCCCCCCCCCCCCCCC)CC(C)C2CCC(C)C1C2

Computed Properties

  • Exact Mass: 422.40413875Da
  • Monoisotopic Mass: 422.40413875Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 17
  • Complexity: 379
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 11.5
  • Topological Polar Surface Area: 0?2
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