Cas no 1119-76-2 (9,12-Octadecadieneperoxoicacid, ethyl ester, (Z,Z)- (9CI))

9,12-Octadecadieneperoxoicacid, ethyl ester, (Z,Z)- (9CI) structure
1119-76-2 structure
Product Name:9,12-Octadecadieneperoxoicacid, ethyl ester, (Z,Z)- (9CI)
CAS No:1119-76-2
MF:C20H36O3
MW:324.498046875
CID:171723
PubChem ID:76963865
Update Time:2025-04-19

9,12-Octadecadieneperoxoicacid, ethyl ester, (Z,Z)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 9,12-Octadecadieneperoxoicacid, ethyl ester, (Z,Z)- (9CI)
    • ETHYLLINOLEATEHYDROPEROXIDE
    • ethyl (9E,12E)-octadeca-9,12-dieneperoxoate
    • Ethyl linoleate peroxide
    • Peroxylinoleic acid, ethyl ester
    • Q27261543
    • 9,12-Octadecadieneperoxoic acid, ethyl ester, (Z,Z)-
    • UNII-5824F9Y2GN
    • 5824F9Y2GN
    • 1119-76-2
    • Inchi: 1S/C20H36O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)23-22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-
    • InChI Key: DYDQCZDXIVKADI-MURFETPASA-N
    • SMILES: O(C(CCCCCCC/C=C\C/C=C\CCCCC)=O)OCC

Computed Properties

  • Exact Mass: 324.26644501g/mol
  • Monoisotopic Mass: 324.26644501g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 17
  • Complexity: 308
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 7.3
  • Topological Polar Surface Area: 35.5?2
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