Cas no 61791-92-2 (ditridecyl maleate)

ditridecyl maleate structure
ditridecyl maleate structure
Product Name:ditridecyl maleate
CAS No:61791-92-2
MF:C30H56O4
MW:480.763250350952
CID:955183
PubChem ID:6437427
Update Time:2025-04-19

ditridecyl maleate Chemical and Physical Properties

Names and Identifiers

    • ditridecyl maleate
    • 2-Butenedioic acid (2Z)-, 1,4-ditridecyl ester
    • 2-Butenedioic acid (2Z)-, ditridecyl ester
    • ditridecyl (2Z)-but-2-enedioate
    • DTXSID20893557
    • ditridecyl (Z)-but-2-enedioate
    • EC 263-208-2
    • Ditridecyl (2Z)-2-butenedioate
    • SCHEMBL444959
    • EINECS 263-208-2
    • DB-220418
    • 61791-92-2
    • Inchi: 1S/C30H56O4/c1-3-5-7-9-11-13-15-17-19-21-23-27-33-29(31)25-26-30(32)34-28-24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24,27-28H2,1-2H3/b26-25-
    • InChI Key: DFKBFBPHOGVNGQ-QPLCGJKRSA-N
    • SMILES: O(C(/C=C\C(=O)OCCCCCCCCCCCCC)=O)CCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 480.41808
  • Monoisotopic Mass: 480.41786026g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 28
  • Complexity: 430
  • 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: 12.5
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6
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