Cas no 153081-64-2 (5,9-Octacosadienoicacid, 26-methyl-, (5Z,9Z)-)

5,9-Octacosadienoicacid, 26-methyl-, (5Z,9Z)- structure
153081-64-2 structure
Product Name:5,9-Octacosadienoicacid, 26-methyl-, (5Z,9Z)-
CAS No:153081-64-2
MF:C29H54O2
MW:434.737869739532
CID:173040
PubChem ID:6443705
Update Time:2025-04-19

5,9-Octacosadienoicacid, 26-methyl-, (5Z,9Z)- Chemical and Physical Properties

Names and Identifiers

    • 5,9-Octacosadienoicacid, 26-methyl-, (5Z,9Z)-
    • 26-methyloctacosa-5,9-dienoic acid
    • (5Z,9Z)-26-methyloctacosa-5,9-dienoic acid
    • 26-Methyl-5,9-octacosadienoic acid
    • 153081-64-2
    • Inchi： 1S/C29H54O2/c1-3-28(2)26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29(30)31/h11,13,19,21,28H,3-10,12,14-18,20,22-27H2,1-2H3,(H,30,31)/b13-11-,21-19-
    • InChI Key： KTQWPVBHBHYYOY-ZPIUPWHUSA-N
    • SMILES： OC(CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC(C)CC)=O

Computed Properties

  • Exact Mass: 434.41262
  • Monoisotopic Mass: 434.412381
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 24
  • Complexity: 425
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3
  • XLogP3: 12

Experimental Properties

  • Density: 0.888
  • Boiling Point: 520.7°Cat760mmHg
  • Flash Point: 417.2°C
  • Refractive Index: 1.475
  • PSA: 37.3

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