Cas no 106-80-9 (Oxiraneoctanoic acid,3-[2-(acetyloxy)octyl]-, 1,2,3-propanetriyl ester (9CI))

Oxiraneoctanoic acid,3-[2-(acetyloxy)octyl]-, 1,2,3-propanetriyl ester (9CI) structure
106-80-9 structure
Product Name:Oxiraneoctanoic acid,3-[2-(acetyloxy)octyl]-, 1,2,3-propanetriyl ester (9CI)
CAS No:106-80-9
MF:C63H110O15
MW:1107.5385222435
CID:225226
PubChem ID:6451176
Update Time:2025-04-19

Oxiraneoctanoic acid,3-[2-(acetyloxy)octyl]-, 1,2,3-propanetriyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Oxiraneoctanoic acid,3-[2-(acetyloxy)octyl]-, 1,2,3-propanetriyl ester (9CI)
    • 2,3-bis[8-[3-(2-acetyloxyoctyl)oxiran-2-yl]octanoyloxy]propyl 8-[3-(2-acetyloxyoctyl)oxiran-2-yl]octanoate
    • propane-1,2,3-triyl tris[3-(2-acetoxyoctyl)oxiran-2-octanoate]
    • Propane-1,2,3-triyl tris(3-(2-acetoxyoctyl)oxiran-2-octanoate)
    • propane-1,2,3-triyl tris(8-{3-[2-(acetyloxy)octyl]oxiran-2-yl}octanoate)
    • EINECS 203-433-5
    • DTXSID901019007
    • 106-80-9
    • NS00041338
    • Inchi： 1S/C63H110O15/c1-7-10-13-25-34-51(72-48(4)64)43-58-55(76-58)37-28-19-16-22-31-40-61(67)70-46-54(75-63(69)42-33-24-18-21-30-39-57-60(78-57)45-53(74-50(6)66)36-27-15-12-9-3)47-71-62(68)41-32-23-17-20-29-38-56-59(77-56)44-52(73-49(5)65)35-26-14-11-8-2/h51-60H,7-47H2,1-6H3
    • InChI Key： DGIWOGQHXKIJCM-UHFFFAOYSA-N
    • SMILES： O1C(CCCCCCCC(=O)OC(COC(CCCCCCCC2C(CC(CCCCCC)OC(C)=O)O2)=O)COC(CCCCCCCC2C(CC(CCCCCC)OC(C)=O)O2)=O)C1CC(CCCCCC)OC(C)=O

Computed Properties

  • Exact Mass: 1106.7848
  • Monoisotopic Mass: 1106.78447280g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 78
  • Rotatable Bond Count: 59
  • Complexity: 1540
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 9
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 16.7
  • Topological Polar Surface Area: 195?2

Experimental Properties

  • Color/Form: Not determined
  • PSA: 195.39
  • Solubility: Not determined

Oxiraneoctanoic acid,3-[2-(acetyloxy)octyl]-, 1,2,3-propanetriyl ester (9CI) Related Literature

106-80-9 (Oxiraneoctanoic acid,3-[2-(acetyloxy)octyl]-, 1,2,3-propanetriyl ester (9CI)) Related Products

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