chempirical

Ubiquinol

C59H92O4CAS 992-78-9865.38 g/mol

Open in Covalent MOL file
OHOOHO
AlkeneEtherPhenol

Properties

Molecular formula
C59H92O4
Molar mass
865.38 g/mol
Exact mass
864.6996 Da
logP
18.47Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
31

Identifiers

CAS number
992-78-9
SMILES
COc1c(O)c(C)c(C/C=C(C)CC/C=C(C)CC/C=C(C)CC/C=C(C)CC/C=C(C)CC/C=C(C)CC/C=C(C)CC/C=C(C)CC/C=C(C)CCC=C(C)C)c(O)c1OC
InChIKey
QNTNKSLOFHEFPK-UPTCCGCDSA-N
InChI
InChI=1S/C59H92O4/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/h24,26,28,30,32,34,36,38,40,42,60-61H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 1,4-Benzenediol, 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-
  • Hydroquinone, 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-
  • 1,4-Benzenediol, 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-, (all-E)-
  • 1,4-Benzenediol, 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-tetracontadecaenyl]-5,6-dimethoxy-3-methyl-
  • 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-1,4-benzenediol
  • Coenzyme Q10, dihydro-
  • Coenzyme Q10-hydroquinone
  • Ubiquinol 50
  • Reduced coenzyme Q10
  • Dihydrocoenzyme Q10
  • Reduced ubiquinone Q10
  • Kaneka QH
  • Ubidecarenol

Work with Ubiquinol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Mycophenolic acid24280-93-146 % similar Squalene111-02-443 % similar Solanesol13190-97-141 % similar Geranylgeraniol24034-73-941 % similar Farnesol4602-84-041 % similar 2-[2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-5-hydroxy-3-methoxyphenyl]-6-benzofuranol68978-04-141 % similar Mycophenolate mofetil115007-34-640 % similar Mycophenolate mofetil128794-94-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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