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
Basic information
- CAS
27696-12-4- Standard SMILES
COC1=C(OC)C(=O)C(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)CCC=C(C)C)=C(C)C1=O- InChIKey
ACTIUHUUMQJHFO-UHFFFAOYSA-N- Molecular formula
- C59H90O4
- Average molar mass
- 863.3 g/mol
- Monoisotopic mass
- 862.68391135
Overview
Ubiquinone-10 is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Names & identifiers
- Preferred name
- 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
- IUPAC
- 2-(3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
- English name
- UBIQUINONE
- Molecular formula
- C59H90O4
- Molecular weight
- 863.35
Names & synonyms
DTXSID508593232-(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-dioneRefChem:1061028DTXCID60809713Coenzyme Q10 semiquinone27696-12-42,5-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)-Q-10CoQ10;Ubiquinone-10C59H90O4NCGC00095322-03CoQ10 ubidecarenone
Show more names
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-tetracontadecaen-1-yl)-5,6-dimethoxy-3-methyl-2-((2E,6E,10E,14Z,18E,22E,26E,30Z,34E)-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
Co Enzyme Q10Spectrum_000370SpecPlus_000782Spectrum2_000726Spectrum3_001163Spectrum4_001689KBioGR_001958KBioSS_000850
Properties
Computed structural properties
- XLogP
- 19.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 31
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,840
Physicochemical properties
- Melting point
- 49 °C · 49 °C
- Boiling point
- 869 · 869.0±65.0 °C(Predicted)
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- ANTIOXIDANTSKIN CONDITIONING
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Compound notes
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