Cas no 5451-27-4 ( )

  structure
  structure
Product Name: 
CAS No:5451-27-4
MF:C17H30O4
MW:298.417706012726
CID:941661
PubChem ID:227204
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 1,5-bis(oxolan-2-yl)pentan-3-yl butanoate
    • 1,5-di(tetrahydrofuran-2-yl)pentan-3-yl butanoate
    • AC1L5FBO
    • AR-1B8071
    • CTK5A1365
    • KST-1B6563
    • NSC18548
    • NSC-18548
    • 5451-27-4
    • DTXSID60280765
    •  
    • Inchi： 1S/C17H30O4/c1-2-5-17(18)21-16(10-8-14-6-3-12-19-14)11-9-15-7-4-13-20-15/h14-16H,2-13H2,1H3
    • InChI Key： OLKOZWXNZMOYKX-UHFFFAOYSA-N
    • SMILES： O1CCCC1CCC(CCC1CCCO1)OC(CCC)=O

Computed Properties

  • Exact Mass: 298.2145
  • Monoisotopic Mass: 298.214
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 10
  • Complexity: 285
  • 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: 3.3
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • Density: 1.02
  • Boiling Point: 391.9°C at 760 mmHg
  • Flash Point: 169°C
  • Refractive Index: 1.469
  • PSA: 44.76

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