chempirical

1,1′-(2-Methyl-1,4-phenylene) bis[4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoate]

C39H44O10CAS 125248-71-7672.77 g/mol

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AlkeneEsterEther

Properties

Molecular formula
C39H44O10
Molar mass
672.77 g/mol
Exact mass
672.2934 Da
logP
7.77Crippen estimate
Polar surface area
123.7 Ų
H-bond donors / acceptors
0 / 10
Rotatable bonds
22

Identifiers

CAS number
125248-71-7
SMILES
C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C)c2)cc1
InChIKey
FQCKIWWAEIOPSD-UHFFFAOYSA-N
InChI
InChI=1S/C39H44O10/c1-4-36(40)46-26-12-8-6-10-24-44-32-18-14-30(15-19-32)38(42)48-34-22-23-35(29(3)28-34)49-39(43)31-16-20-33(21-17-31)45-25-11-7-9-13-27-47-37(41)5-2/h4-5,14-23,28H,1-2,6-13,24-27H2,3H3

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

Names and synonyms

10 names
  • Benzoic acid, 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]-, 1,1′-(2-methyl-1,4-phenylene) ester
  • Benzoic acid, 4-[[6-[(1-oxo-2-propenyl)oxy]hexyl]oxy]-, 2-methyl-1,4-phenylene ester
  • C 6M
  • 1,4-Di[4-(6-acryloyloxyhexyloxy)benzoyloxy]-2-methylbenzene
  • Methylhydroquinone bis(4-(6-acryloyloxyhexyloxy) benzoic acid) ester
  • RM 82
  • RM 82 (monomer)
  • HCM 009
  • [3-Methyl-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
  • 1,4-Bis-[4-(6-acryloyloxyhexyloxy)benzoyloxy]-2-methylbenzene

Work with 1,1′-(2-Methyl-1,4-phenylene) bis[4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoate]

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

1,1′-(2-Methyl-1,4-phenylene) bis[4-[[[4-[(1-oxo-2-propen-1-yl)oxy]butoxy]carbonyl]oxy]benzoate]187585-64-480 % similar 4-Methoxyphenyl 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoate82200-53-170 % similar 4-Cyanophenyl 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoate83847-14-763 % similar 4-((11-(Acryloyloxy)undecyl)oxy)benzoic acid106620-90-056 % similar 4-[[6-[(1-Oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoic acid83883-26-556 % similar 2,2′-[2-(Methoxycarbonyl)-1,4-phenylene] bis[6-[[[4-[(1-oxo-2-propen-1-yl)oxy]butoxy]carbonyl]oxy]-2-naphthalenecarboxylate]914918-26-654 % similar Phenoxyethyl acrylate48145-04-643 % similar 1,6-Hexanediol diacrylate13048-33-442 % similar

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

Elsewhere

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