Cas no 154869-43-9 (1,9-Dioxacyclohexadecane-2,5,10-trione,8,16-bis(2-oxopropyl)-, [8S-(8R*,16R*)]- (9CI))

1,9-Dioxacyclohexadecane-2,5,10-trione,8,16-bis(2-oxopropyl)-, [8S-(8R*,16R*)]- (9CI) structure
154869-43-9 structure
Product Name:1,9-Dioxacyclohexadecane-2,5,10-trione,8,16-bis(2-oxopropyl)-, [8S-(8R*,16R*)]- (9CI)
CAS No:154869-43-9
MF:C20H30O7
MW:382.448007106781
CID:192275
PubChem ID:154676
Update Time:2025-04-19

1,9-Dioxacyclohexadecane-2,5,10-trione,8,16-bis(2-oxopropyl)-, [8S-(8R*,16R*)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,9-Dioxacyclohexadecane-2,5,10-trione,8,16-bis(2-oxopropyl)-, [8S-(8R*,16R*)]- (9CI)
    • (8S-(8R*,16R*))-8,16-Bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10-trione
    • 154869-43-9
    • 8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10-trione
    • 1,9-Dioxacyclohexadecane-2,5,10-trione, 8,16-bis(2-oxopropyl)-, (8S-(8R*,16R*))-
    • DTXSID60935086
    • CCRIS 6974
    • Inchi: 1S/C20H30O7/c1-14(21)12-17-6-4-3-5-7-19(24)27-18(13-15(2)22)10-8-16(23)9-11-20(25)26-17/h17-18H,3-13H2,1-2H3/t17-,18-/m0/s1
    • InChI Key: CZRTWOKSRMXXSJ-ROUUACIJSA-N
    • SMILES: O1C(CCC(CC[C@@H](CC(C)=O)OC(CCCCC[C@H]1CC(C)=O)=O)=O)=O

Computed Properties

  • Exact Mass: 382.1992
  • Monoisotopic Mass: 382.199
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 4
  • Complexity: 553
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 104?2

Experimental Properties

  • Density: 1.068
  • Boiling Point: 626.1°C at 760 mmHg
  • Flash Point: 271.6°C
  • Refractive Index: 1.449
  • PSA: 103.81
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