Cas no 142626-83-3 (Pentadecyl tridecyl benzene-1,4-dicarboxylate)

Pentadecyl tridecyl benzene-1,4-dicarboxylate structure
142626-83-3 structure
Product Name:Pentadecyl tridecyl benzene-1,4-dicarboxylate
CAS No:142626-83-3
MF:C36H62O4
MW:558.875092029572
CID:2775222
PubChem ID:21645019
Update Time:2025-04-21

Pentadecyl tridecyl benzene-1,4-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • 142626-83-3
    • SCHEMBL10448749
    • DTXSID00616569
    • Pentadecyl tridecyl benzene-1,4-dicarboxylate
    • Inchi: 1S/C36H62O4/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-32-40-36(38)34-29-27-33(28-30-34)35(37)39-31-25-23-21-19-17-14-12-10-8-6-4-2/h27-30H,3-26,31-32H2,1-2H3
    • InChI Key: PTDSPKMZWMVTEC-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC(=CC=1)C(=O)OCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 558.46481045Da
  • Monoisotopic Mass: 558.46481045Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 30
  • Complexity: 567
  • 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: 16.4
  • Topological Polar Surface Area: 52.6?2

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