chempirical

Coenzyme Q1

C14H18O4CAS 727-81-1250.29 g/mol

Open in Covalent MOL file
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AlkeneEtherKetone

Properties

Molecular formula
C14H18O4
Molar mass
250.29 g/mol
Exact mass
250.1205 Da
logP
2.32Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
727-81-1
SMILES
CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C
InChIKey
SOECUQMRSRVZQQ-UHFFFAOYSA-N
InChI
InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3

Weigh it out

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Names and synonyms

16 names · show all
  • 2,3-Dimethoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
  • Ubiquinone-1
  • Ubiquinone Q1
  • CoQ1
  • 2,3-Dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione
  • 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-(3-methyl-2-butenyl)-
  • Coenzyme Q5
  • 2,3-Dimethoxy-5-methyl-6-(3-methyl-2-butenyl)-1,4-benzoquinone
  • Ubiquionone 1
  • Koenzym Q
  • Ubiquinone Q5
  • Ubiquinone-Q1
  • p-Benzoquinone, 2,3-dimethoxy-5-methyl-6-(3-methyl-2-butenyl)-
  • Ubiquinone 1
  • Mitoquinones
  • Ubichinon

Reactions

Work with Coenzyme Q1

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

Coenzyme Q10303-98-073 % similar Idebenone58186-27-950 % similar 2,3-Dimethoxy-5-methyl-1,4-benzoquinone605-94-738 % similar Methyl 3-methyl-2-butenoate924-50-532 % similar Lapachol84-79-731 % similar Prenyl acetate1191-16-831 % similar 2,3-Dimethoxy-2,5-cyclohexadiene-1,4-dione3117-02-031 % similar

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

Same formula

Dipropyl phthalate131-16-8 Trolox53188-07-1 Diisopropyl phthalate605-45-8 1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-8 Benzyl tert-butyl malonate72594-86-6

Elsewhere

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