Cas no 5453-22-5 (Octanoic acid,3-(tetrahydro-2-furanyl)-1-[2-(tetrahydro-2-furanyl)ethyl]propylester)

Octanoic acid,3-(tetrahydro-2-furanyl)-1-[2-(tetrahydro-2-furanyl)ethyl]propylester structure
5453-22-5 structure
Product Name:Octanoic acid,3-(tetrahydro-2-furanyl)-1-[2-(tetrahydro-2-furanyl)ethyl]propylester
CAS No:5453-22-5
MF:C21H38O4
MW:354.524027347565
CID:385580
PubChem ID:227215
Update Time:2025-04-19

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

Names and Identifiers

    • Octanoic acid,3-(tetrahydro-2-furanyl)-1-[2-(tetrahydro-2-furanyl)ethyl]propylester
    • 1,5-bis(oxolan-2-yl)pentan-3-yl octanoate
    • 1,5-di(tetrahydrofuran-2-yl)pentan-3-yl octanoate
    • AC1L5FBZ
    • AC1Q5Y7J
    • AR-1B8075
    • CTK5A1484
    • KST-1B6578
    • NSC18559
    • NSC-18559
    • 5453-22-5
    • DTXSID10280775
    • Inchi： 1S/C21H38O4/c1-2-3-4-5-6-11-21(22)25-20(14-12-18-9-7-16-23-18)15-13-19-10-8-17-24-19/h18-20H,2-17H2,1H3
    • InChI Key： VAZJSOGWHFPJDB-UHFFFAOYSA-N
    • SMILES： O1CCCC1CCC(CCC1CCCO1)OC(CCCCCCC)=O

Computed Properties

  • Exact Mass: 354.27714
  • Monoisotopic Mass: 354.277
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 14
  • Complexity: 338
  • 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: 5.4
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • Density: 0.988
  • Boiling Point: 446.9°Cat760mmHg
  • Flash Point: 190.6°C
  • Refractive Index: 1.47
  • PSA: 44.76

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

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