Cas no 2944-06-1 (hexadecyl hydrogen maleate)

hexadecyl hydrogen maleate structure
hexadecyl hydrogen maleate structure
Product Name:hexadecyl hydrogen maleate
CAS No:2944-06-1
MF:C20H36O4
MW:340.497447013855
CID:915541
PubChem ID:6912882
Update Time:2025-04-19

hexadecyl hydrogen maleate Chemical and Physical Properties

Names and Identifiers

    • hexadecyl hydrogen maleate
    • (2E)-4-(hexadecyloxy)-4-oxobut-2-enoic acid
    • (2Z)-4-(hexadecyloxy)-4-oxobut-2-enoic acid
    • 2944-06-1
    • STL453811
    • Hexadecyl-Hydrogen-Maleat
    • W-109841
    • NS00048519
    • (Z)-4-(Hexadecyloxy)-4-oxobut-2-enoic acid
    • SCHEMBL2897896
    • Inchi: 1S/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)17-16-19(21)22/h16-17H,2-15,18H2,1H3,(H,21,22)/b17-16-
    • InChI Key: YXIQOXQGELPIFQ-MSUUIHNZSA-N
    • SMILES: O(C(/C=C\C(=O)O)=O)CCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 340.26148
  • Monoisotopic Mass: 340.26135963g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 18
  • Complexity: 337
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.5
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • PSA: 63.6
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