Cas no 105579-84-8 (Dibenzyl Tetradecanedioate)

Dibenzyl Tetradecanedioate structure
Dibenzyl Tetradecanedioate structure
Product Name:Dibenzyl Tetradecanedioate
CAS No:105579-84-8
MF:C28H38O4
MW:438.598928928375
CID:1156360
PubChem ID:71333620
Update Time:2025-04-20

Dibenzyl Tetradecanedioate Chemical and Physical Properties

Names and Identifiers

    • Dibenzyl Tetradecanedioate
    • 105579-84-8
    • DTXSID00761846
    • Inchi: 1S/C28H38O4/c29-27(31-23-25-17-11-9-12-18-25)21-15-7-5-3-1-2-4-6-8-16-22-28(30)32-24-26-19-13-10-14-20-26/h9-14,17-20H,1-8,15-16,21-24H2
    • InChI Key: SPSKZDHAEDASDG-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C(CCCCCCCCCCCCC(=O)OCC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 438.27714
  • Monoisotopic Mass: 438.27700969g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 19
  • Complexity: 434
  • 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: 7.9
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6
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