2-Methyl-1,4-phenylene bis(4-(3-(acryloyloxy)propoxy)benzoate)

C₃₃H₃₂O₁₀CAS 174063-87-7588.61 g/mol

Open in Covalent MOL file

Alkene Ester Ether

Properties

Molecular formula: C₃₃H₃₂O₁₀
Molar mass: 588.61 g/mol
Exact mass: 588.1995 Da
logP: 5.43Crippen estimate
Polar surface area: 123.7 Å²
H-bond donors / acceptors: 0 / 10
Rotatable bonds: 16

Hazards

Warning

H317 May cause an allergic skin reaction100% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

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

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

174063-87-7

SMILES

CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCCOC(=O)C=C)OC(=O)C3=CC=C(C=C3)OCCCOC(=O)C=C

InChIKey

ISSYGWIDLYOJEN-UHFFFAOYSA-N

InChI

InChI=1S/C33H32O10/c1-4-30(34)40-20-6-18-38-26-12-8-24(9-13-26)32(36)42-28-16-17-29(23(3)22-28)43-33(37)25-10-14-27(15-11-25)39-19-7-21-41-31(35)5-2/h4-5,8-17,22H,1-2,6-7,18-21H2,3H3

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Names and synonyms

1 names

1,4-Bis-[4-(3-acryloyloxypropyloxy)benzoyloxy]-2-methylbenzene

Work with 2-Methyl-1,4-phenylene bis(4-(3-(acryloyloxy)propoxy)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-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoate]125248-71-794 % similar 1,1′-(2-Methyl-1,4-phenylene) bis[4-[[[4-[(1-oxo-2-propen-1-yl)oxy]butoxy]carbonyl]oxy]benzoate]187585-64-479 % similar 4-Methoxyphenyl 4-((6-((1-oxo-2-propen-1-yl)oxy)hexyl)oxy)benzoate82200-53-165 % similar 4-[4-[(1-Oxo-2-propenyl)oxy]butoxy]benzoic acid [1,1'-biphenyl]-4-yl ester245760-39-862 % similar 4-Cyanophenyl-4-(6-(acryloyloxy)hexyloxy)benzoate83847-14-759 % similar 4-(3-(Acryloyloxy)propoxy)benzoic acid245349-46-655 % similar 2,2′-[2-(Methoxycarbonyl)-1,4-phenylene] bis[6-[[[4-[(1-oxo-2-propen-1-yl)oxy]butoxy]carbonyl]oxy]-2-naphthalenecarboxylate]914918-26-653 % similar 4-(4-Acryloxy-butyl-1-oxy)-benzoic acid69260-42-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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