(3-Acryloxypropyl)dimethylmethoxysilane

C₉H₁₈O₃SiCAS 111918-90-2202.32 g/mol

Open in Covalent MOL file

Alkene Ester Silyl ether

Properties

Molecular formula: C₉H₁₈O₃Si
Molar mass: 202.32 g/mol
Exact mass: 202.1025 Da
logP: 1.96Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

111918-90-2

SMILES

CO[Si](C)(C)CCCOC(=O)C=C

InChIKey

ZCRUJAKCJLCJCP-UHFFFAOYSA-N

InChI

InChI=1S/C9H18O3Si/c1-5-9(10)12-7-6-8-13(3,4)11-2/h5H,1,6-8H2,2-4H3

Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 6.43 (dd, J = 16.8, 1.4 Hz, 1H), 6.05 (dd, J = 16.8, 10.8 Hz, 1H), 5.80 (dd, J = 10.8, 1.4 Hz, 1H), 4.08 (t, J = 7.0 Hz, 2H), 3.50 (s, 3H), 1.62 (quint, J = 7.0 Hz, 2H), 0.50 (t, J = 7.0 Hz, 2H), 0.00 (s, 6H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 166.6, 130.3, 129.6, 69.6, 46.7, 24.8, 12.5, 0.0.

[M + H]+

[M + H]+ Calcd for C9H19O3Si 203.1098

[M + Na]+

[M + Na]+ Calcd for C9H18NaO3Si 225.0917

[M − H]−

[M − H]− Calcd for C9H17O3Si 201.0952

Elemental analysis

Anal. Calcd for C9H18O3Si: C, 53.43; H, 8.97.

Weigh it out

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Names and synonyms

1 name

3-(Methoxydimethylsilyl)propyl Acrylate

Work with (3-Acryloxypropyl)dimethylmethoxysilane

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

(3-Acryloxypropyl)methyldimethoxysilane13732-00-873 % similar Acryloxypropyltrimethoxysilane4369-14-672 % similar (3-Acryloxypropyl)trichlorosilane38595-89-058 % similar 1,4-Butylene glycol diacrylate1070-70-858 % similar 1,6-Hexanediol diacrylate13048-33-456 % similar Butyl acrylate141-32-254 % similar Ethylene glycol diacrylate26570-48-952 % similar Methoxyethyl acrylate3121-61-751 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-((Trimethylsilyl)oxy)ethyl methacrylate17407-09-9

Elsewhere

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