Cas no 841309-69-1 (Bis(2-hexyldecyl) butanedioate)

Bis(2-hexyldecyl) butanedioate structure
841309-69-1 structure
Product Name:Bis(2-hexyldecyl) butanedioate
CAS No:841309-69-1
MF:C36H70O4
MW:566.93861246109
CID:2804885
PubChem ID:57009743
Update Time:2025-04-21

Bis(2-hexyldecyl) butanedioate Chemical and Physical Properties

Names and Identifiers

    • Bis(2-hexyldecyl) butanedioate
    • SCHEMBL345691
    • DTXSID70720046
    • 841309-69-1
    • Inchi: 1S/C36H70O4/c1-5-9-13-17-19-23-27-33(25-21-15-11-7-3)31-39-35(37)29-30-36(38)40-32-34(26-22-16-12-8-4)28-24-20-18-14-10-6-2/h33-34H,5-32H2,1-4H3
    • InChI Key: JIQQDZLFBDITIG-UHFFFAOYSA-N
    • SMILES: O(C(CCC(=O)OCC(CCCCCC)CCCCCCCC)=O)CC(CCCCCC)CCCCCCCC

Computed Properties

  • Exact Mass: 566.52741071Da
  • Monoisotopic Mass: 566.52741071Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 33
  • Complexity: 499
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 14.8
  • Topological Polar Surface Area: 52.6?2
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