Cas no 68817-65-2 (4',4pi(5pi)-diacetyldibenzo-18-crown-6)

4',4pi(5pi)-diacetyldibenzo-18-crown-6 structure
68817-65-2 structure
Product Name:4',4pi(5pi)-diacetyldibenzo-18-crown-6
CAS No:68817-65-2
MF:C24H28O8
MW:444.474328041077
CID:972179
PubChem ID:2734264
Update Time:2025-04-19

4',4pi(5pi)-diacetyldibenzo-18-crown-6 Chemical and Physical Properties

Names and Identifiers

    • 4',4pi(5pi)-diacetyldibenzo-18-crown-6
    • 4',4'(5')-DIACETYLDIBENZO-18-CROWN-6
    • HMS2786H04
    • CHEMBL1704105
    • SR-01000391939-1
    • FT-0701456
    • 1,1'-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diyl)diethanone
    • 68817-65-2
    • SR-01000391939
    • 1,1'-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diyl)di(ethan-1-one)
    • 4',4'',(5'')-Diacetyldibenzo-18-crown-6
    • 67722-66-1
    • 1-(13-Acetyl-6,7,9,10,17,18,20,21-octahydro-5,8,11,16,19,22-hexaoxa-dibenzo[a,j]cyclooctadecen-2-y l)-ethanone
    • AKOS001482557
    • 1,1'-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diyl)bis(ethan-1-one)
    • SMR000427499
    • MLS001030092
    • DTXSID50370184
    • 1(22),9(14),10,12,23,25-hexaen-11-yl)ethanone
    • 1-(13-AC-OCTAHYDRO-HEXAOXA-DIBENZO(A,J)CYCLOOCTADECEN-2-YL)-ETHANONE
    • 1-(24-acetyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl)ethanone
    • 4',4''(5'')-Diacetyldibenzo-18-crown-6
    • STL334756
    • Inchi： 1S/C24H28O8/c1-17(25)19-3-5-21-23(15-19)31-13-9-27-8-12-30-22-6-4-20(18(2)26)16-24(22)32-14-10-28-7-11-29-21/h3-6,15-16H,7-14H2,1-2H3
    • InChI Key： HPAWAIFDXKBZGU-UHFFFAOYSA-N
    • SMILES： O1CCOCCOC2C=CC(C(C)=O)=CC=2OCCOCCOC2C=CC(C(C)=O)=CC1=2

Computed Properties

  • Exact Mass: 444.17800
  • Monoisotopic Mass: 444.178
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 2
  • Complexity: 532
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: nothing
  • Topological Polar Surface Area: 89.5A^2

Experimental Properties

  • Density: 1.1922 (rough estimate)
  • Melting Point: 194-201 °C
  • Boiling Point: 514.47°C (rough estimate)
  • Flash Point: 275.9°C
  • Refractive Index: 1.5500 (estimate)
  • PSA: 89.52000
  • LogP: 3.35400

4',4pi(5pi)-diacetyldibenzo-18-crown-6 Security Information

  • Hazard Category Code： 36/37/38-20/21/22
  • Safety Instruction： S26-S36/37/39
  • Hazardous Material Identification： Xn
  • Safety Term：S26;S36/37/39
  • Risk Phrases：R20/21/22; R36/37/38

4',4pi(5pi)-diacetyldibenzo-18-crown-6 Related Literature

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