Idebenone

C₁₉H₃₀O₅CAS 58186-27-9338.44 g/mol

Open in Covalent MOL file

Alcohol Alkene Ether Ketone

Properties

Molecular formula: C₁₉H₃₀O₅
Molar mass: 338.44 g/mol
Exact mass: 338.2093 Da
Melting point: 46–50 °C
logP: 3.46Crippen estimate
Polar surface area: 72.8 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 12

Hazards

Danger

H228 Flammable solid25% of notifiers
H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

58186-27-9

SMILES

COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O

InChIKey

JGPMMRGNQUBGND-UHFFFAOYSA-N

InChI

InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3

Weigh it out

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

Names and synonyms

12 names

2,5-Cyclohexadiene-1,4-dione, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-
2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-2,5-cyclohexadiene-1,4-dione
2,3-Dimethoxy-5-methyl-6-(10-hydroxydecyl)-1,4-benzoquinone
CV 2619
2,3-Dimethoxy-6-(10-hydroxydecyl)-5-methyl-1,4-benzoquinone
Avan
Daruma
Mnesis
2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
Raxone
2-(10-Hydroxy-decyl)-5,6-dimethoxy-3-methyl-[1,4]benzoquinone
Sovrima

Work with Idebenone

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

6-Hydroxyhexanoic acid methyl ester4547-43-750 % similar Coenzyme Q1727-81-150 % similar Coenzyme Q10303-98-044 % similar Ethyl 6-hydroxyhexanoate5299-60-537 % similar 10-Hydroxydecanoic acid1679-53-436 % similar 11-Hydroxyundecanoic acid3669-80-536 % similar 9-Hydroxynonanoic acid3788-56-536 % similar 15-Hydroxypentadecanoic acid4617-33-836 % similar

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

Same formula

Dodecyl gallate1166-52-5 Piperonyl butoxide51-03-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook