Cas no 68928-77-8 (8,12-Dioxa-4,16-dithianonadecanedioicacid,10-ethyl-10-[[3-[[3-(isotridecyloxy)-3-oxopropyl]thio]-1-oxopropoxy]methyl]-,1,19-diisotridecyl ester)

8,12-Dioxa-4,16-dithianonadecanedioicacid,10-ethyl-10-[[3-[[3-(isotridecyloxy)-3-oxopropyl]thio]-1-oxopropoxy]methyl]-,1,19-diisotridecyl ester structure
68928-77-8 structure
Product Name:8,12-Dioxa-4,16-dithianonadecanedioicacid,10-ethyl-10-[[3-[[3-(isotridecyloxy)-3-oxopropyl]thio]-1-oxopropoxy]methyl]-,1,19-diisotridecyl ester
CAS No:68928-77-8
MF:C63H120O10S3
MW:1133.81591796875
CID:516692
Update Time:2024-01-30

8,12-Dioxa-4,16-dithianonadecanedioicacid,10-ethyl-10-[[3-[[3-(isotridecyloxy)-3-oxopropyl]thio]-1-oxopropoxy]methyl]-,1,19-diisotridecyl ester Chemical and Physical Properties

Names and Identifiers

    • 8,12-Dioxa-4,16-dithianonadecanedioicacid,10-ethyl-10-[[3-[[3-(isotridecyloxy)-3-oxopropyl]thio]-1-oxopropoxy]methyl]-,1,19-diisotridecyl ester
    • diisotridecyl 10-ethyl-10-[[3-[[3-(isotridecyloxy)-3-oxopropyl]thio]-1-oxopropoxy]methyl]-8,12-dioxa-4,16-dithianonadecanedioate
    • 8,12-Dioxa-4,16-dithianonadecanedioic acid, 10-ethyl-10-((3-((3-(isotridecyloxy)-3-oxopropyl)thio)-1-oxopropoxy)methyl)-, 1,19-diisotridecyl ester
    • 8,12-Dioxa-4,16-dithianonadecanedioic acid, 10-ethyl-10-((3-((3-(isotridecyloxy)-3-oxopropyl)thio)-1-oxopropoxy)methyl)-, diisotridecyl ester
    • Diisotridecyl 10-ethyl-10-((3-((3-(isotridecyloxy)-3-oxopropyl)thio)-1-oxopropoxy)methyl)-8,12-dioxa-4,16-dithianonadecanedioate
    • Inchi： 1S/C63H120O10S3/c1-8-63(53-68-42-33-47-74-49-38-59(64)70-44-30-24-18-12-9-15-21-27-35-56(2)3,54-69-43-34-48-75-50-39-60(65)71-45-31-25-19-13-10-16-22-28-36-57(4)5)55-73-62(67)41-52-76-51-40-61(66)72-46-32-26-20-14-11-17-23-29-37-58(6)7/h56-58H,8-55H2,1-7H3
    • InChI Key： POHIGIGNOREFMQ-UHFFFAOYSA-N
    • SMILES： C(OCCCCCCCCCCC(C)C)(=O)CCSCCCOCC(CC)(COC(=O)CCSCCC(OCCCCCCCCCCC(C)C)=O)COCCCSCCC(OCCCCCCCCCCC(C)C)=O

Computed Properties

  • Exact Mass: 1132.8049
  • Monoisotopic Mass: 1132.804
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 76
  • Rotatable Bond Count: 64
  • Complexity: 1240
  • 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
  • Topological Polar Surface Area: 200A^2

Experimental Properties

  • Density: 1.025
  • Boiling Point: 982.1°C at 760 mmHg
  • Flash Point: 467.9°C
  • Refractive Index: 1.491
  • PSA: 123.66

8,12-Dioxa-4,16-dithianonadecanedioicacid,10-ethyl-10-[[3-[[3-(isotridecyloxy)-3-oxopropyl]thio]-1-oxopropoxy]methyl]-,1,19-diisotridecyl ester Related Literature

68928-77-8 (8,12-Dioxa-4,16-dithianonadecanedioicacid,10-ethyl-10-[[3-[[3-(isotridecyloxy)-3-oxopropyl]thio]-1-oxopropoxy]methyl]-,1,19-diisotridecyl ester) Related Products

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