Cas no 5453-27-0 (Nonanoic acid,3-(tetrahydro-2-furanyl)-1-[2-(tetrahydro-2-furanyl)ethyl]propylester)

Nonanoic acid,3-(tetrahydro-2-furanyl)-1-[2-(tetrahydro-2-furanyl)ethyl]propylester structure
5453-27-0 structure
Product Name:Nonanoic acid,3-(tetrahydro-2-furanyl)-1-[2-(tetrahydro-2-furanyl)ethyl]propylester
CAS No:5453-27-0
MF:C22H40O4
MW:368.550607681274
CID:386082
PubChem ID:227220
Update Time:2025-04-19

Nonanoic acid,3-(tetrahydro-2-furanyl)-1-[2-(tetrahydro-2-furanyl)ethyl]propylester Chemical and Physical Properties

Names and Identifiers

    • Nonanoic acid,3-(tetrahydro-2-furanyl)-1-[2-(tetrahydro-2-furanyl)ethyl]propylester
    • 1,5-bis(oxolan-2-yl)pentan-3-yl nonanoate
    • 5453-27-0
    • DTXSID60280780
    • NSC18564
    • NSC-18564
    • Inchi： 1S/C22H40O4/c1-2-3-4-5-6-7-12-22(23)26-21(15-13-19-10-8-17-24-19)16-14-20-11-9-18-25-20/h19-21H,2-18H2,1H3
    • InChI Key： IZUINEIOLHLHIT-UHFFFAOYSA-N
    • SMILES： O1CCCC1CCC(CCC1CCCO1)OC(CCCCCCCC)=O

Computed Properties

  • Exact Mass: 368.2928
  • Monoisotopic Mass: 368.29265975g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 15
  • Complexity: 351
  • 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: 6
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • PSA: 44.76

Nonanoic acid,3-(tetrahydro-2-furanyl)-1-[2-(tetrahydro-2-furanyl)ethyl]propylester Related Literature

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