Cas no 131883-38-0 (Octanoic acid, pentadecafluoro-, octadecyl ester)

Octanoic acid, pentadecafluoro-, octadecyl ester structure
131883-38-0 structure
Product Name:Octanoic acid, pentadecafluoro-, octadecyl ester
CAS No:131883-38-0
MF:C26H37F15O2
MW:666.54684138298
CID:1234067
PubChem ID:15918848
Update Time:2025-04-20

Octanoic acid, pentadecafluoro-, octadecyl ester Chemical and Physical Properties

Names and Identifiers

    • Octanoic acid, pentadecafluoro-, octadecyl ester
    • octadecyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
    • 131883-38-0
    • SCHEMBL5163852
    • Octadecyl perfluorooctanoate
    • Pentadecafluorooctanoic acid, octadecyl ester
    • DTXSID20579561
    • WTSTWJMWBBUFJP-UHFFFAOYSA-N
    • Octadecyl pentadecafluorooctanoate
    • Inchi： 1S/C26H37F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-43-19(42)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h2-18H2,1H3
    • InChI Key： WTSTWJMWBBUFJP-UHFFFAOYSA-N
    • SMILES： FC(C(C(C(=O)OCCCCCCCCCCCCCCCCCC)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F

Computed Properties

  • Exact Mass: 666.25551
  • Monoisotopic Mass: 666.2554028g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 24
  • Complexity: 811
  • 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: 14.1
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

Octanoic acid, pentadecafluoro-, octadecyl ester Related Literature

131883-38-0 (Octanoic acid, pentadecafluoro-, octadecyl ester) Related Products

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