Cas no 98899-26-4 (dibutyl cyclobutane-1,1-dicarboxylate)

dibutyl cyclobutane-1,1-dicarboxylate structure
98899-26-4 structure
Product Name:dibutyl cyclobutane-1,1-dicarboxylate
CAS No:98899-26-4
MF:C14H24O4
MW:256.337965011597
CID:1993399
PubChem ID:1878905
Update Time:2025-04-21

dibutyl cyclobutane-1,1-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • dibutyl cyclobutane-1,1-dicarboxylate
    • 1,1-cyclobutanedicarboxylic acid, dibutyl ester
    • cyclobutane-1,1-dicarboxylic acid dibutyl ester
    • 98899-26-4
    • DTXSID40365443
    • SCHEMBL6058609
    • Inchi: 1S/C14H24O4/c1-3-5-10-17-12(15)14(8-7-9-14)13(16)18-11-6-4-2/h3-11H2,1-2H3
    • InChI Key: ASKLWMYRBLRFJE-UHFFFAOYSA-N
    • SMILES: O(CCCC)C(C1(C(=O)OCCCC)CCC1)=O

Computed Properties

  • Exact Mass: 256.167
  • Monoisotopic Mass: 256.167
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 10
  • Complexity: 258
  • 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: 3.5
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 1.051
  • Boiling Point: 298.8°C at 760 mmHg
  • Flash Point: 135.6°C
  • Refractive Index: 1.47
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