Cas no 27696-12-4 (2,5-Cyclohexadiene-1,4-dione,2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-5,6-dimethoxy-3-methyl-,radical ion(1-))

2,5-Cyclohexadiene-1,4-dione,2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-5,6-dimethoxy-3-methyl-,radical ion(1-) structure
27696-12-4 structure
Product Name:2,5-Cyclohexadiene-1,4-dione,2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-5,6-dimethoxy-3-methyl-,radical ion(1-)
CAS No:27696-12-4
MF:C59H90O4
MW:863.343518733978
CID:268623
PubChem ID:1156
Update Time:2025-04-19

2,5-Cyclohexadiene-1,4-dione,2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-5,6-dimethoxy-3-methyl-,radical ion(1-) Chemical and Physical Properties

Names and Identifiers

    • 2,5-Cyclohexadiene-1,4-dione,2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-5,6-dimethoxy-3-methyl-,radical ion(1-)
    • LogP
    • NCGC00095322-03
    • Spectrum3_001163
    • SpecPlus_000782
    • FT-0603373
    • KBio2_000850
    • DivK1c_006878
    • SPBio_000652
    • 27696-12-4
    • 2-(3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
    • KBioSS_000850
    • KBio2_003418
    • Spectrum2_000726
    • Spectrum4_001689
    • 2,5-cyclohexadiene-1,4-dione, 2-(3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-, radical ion(1-), (all-E)-
    • KBio2_005986
    • DTXSID50859323
    • Spectrum_000370
    • ubisemiquinone
    • CHEMBL3185462
    • KBioGR_001958
    • Coenzyme Q10 semiquinone
    • NCGC00159429-03
    • CoQ10;Ubiquinone-10
    • KBio3_002245
    • KBio1_001822
    • Inchi： 1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3
    • InChI Key： ACTIUHUUMQJHFO-UHFFFAOYSA-N
    • SMILES： O(C)C1=C(C(C(C)=C(C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CC/C=C(\C)/C)=O)OC

Computed Properties

  • Exact Mass: 862.6843
  • Monoisotopic Mass: 862.68391135g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 63
  • Rotatable Bond Count: 31
  • Complexity: 1840
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 9
  • XLogP3: 19.4
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 0.97
  • Boiling Point: 869°Cat760mmHg
  • Flash Point: 324.6°C
  • Refractive Index: 1.525
  • PSA: 52.6

2,5-Cyclohexadiene-1,4-dione,2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-5,6-dimethoxy-3-methyl-,radical ion(1-) Related Literature

Related Categories

27696-12-4 (2,5-Cyclohexadiene-1,4-dione,2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-5,6-dimethoxy-3-methyl-,radical ion(1-)) Related Products

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