Cas no 94313-92-5 (Hexanedioic acid,1,6-bis[2-hydroxy-3-[(1-oxo-9-octadecen-1-yl)oxy]propyl] ester)

Hexanedioic acid,1,6-bis[2-hydroxy-3-[(1-oxo-9-octadecen-1-yl)oxy]propyl] ester structure
94313-92-5 structure
Product Name:Hexanedioic acid,1,6-bis[2-hydroxy-3-[(1-oxo-9-octadecen-1-yl)oxy]propyl] ester
CAS No:94313-92-5
MF:C48H86O10
MW:823.190456867218
CID:806178
PubChem ID:6366537
Update Time:2025-04-19

Hexanedioic acid,1,6-bis[2-hydroxy-3-[(1-oxo-9-octadecen-1-yl)oxy]propyl] ester Chemical and Physical Properties

Names and Identifiers

    • Hexanedioic acid,1,6-bis[2-hydroxy-3-[(1-oxo-9-octadecen-1-yl)oxy]propyl] ester
    • bis(2-hydroxy-3-octadec-9-enoyloxypropyl) hexanedioate
    • BIS[2-HYDROXY-3-[(1-OXOOCTADEC-9-ENYL)OXY]PROPYL] ADIPATE
    • Hexanedioicacid, bis[2-hydroxy-3-[(1-oxo-9-octadecenyl)oxy]propyl] ester (9CI)
    • EINECS 304-991-3
    • 94313-92-5
    • Bis[2-hydroxy-3-[(1-oxooctadec-9-enyl)oxy]propyl]adipate
    • Bis(2-hydroxy-3-((1-oxooctadec-9-enyl)oxy)propyl) adipate
    • Inchi： 1S/C48H86O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-45(51)55-39-43(49)41-57-47(53)37-33-34-38-48(54)58-42-44(50)40-56-46(52)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,43-44,49-50H,3-16,21-42H2,1-2H3/b19-17+,20-18+
    • InChI Key： ARLXGBZNBMODOR-XPWSMXQVSA-N
    • SMILES： O(CC(COC(CCCCC(=O)OCC(COC(CCCCCCC/C=C/CCCCCCCC)=O)O)=O)O)C(CCCCCCC/C=C/CCCCCCCC)=O

Computed Properties

  • Exact Mass: 822.62209894g/mol
  • Monoisotopic Mass: 822.62209894g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 58
  • Rotatable Bond Count: 47
  • Complexity: 946
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 14.1
  • Topological Polar Surface Area: 146?2

Hexanedioic acid,1,6-bis[2-hydroxy-3-[(1-oxo-9-octadecen-1-yl)oxy]propyl] ester Related Literature

94313-92-5 (Hexanedioic acid,1,6-bis[2-hydroxy-3-[(1-oxo-9-octadecen-1-yl)oxy]propyl] ester) Related Products

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