Allyltris(trimethylsiloxy)silane

C₁₂H₃₂O₃Si₄CAS 7087-21-0336.73 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₁₂H₃₂O₃Si₄
Molar mass: 336.73 g/mol
Exact mass: 336.1429 Da
logP: 4.67Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 8

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

7087-21-0

SMILES

C[Si](C)(C)O[Si](CC=C)(O[Si](C)(C)C)O[Si](C)(C)C

InChIKey

WCAXVXQTTCIZHD-UHFFFAOYSA-N

InChI

InChI=1S/C12H32O3Si4/c1-11-12-19(13-16(2,3)4,14-17(5,6)7)15-18(8,9)10/h11H,1,12H2,2-10H3

Characterization data

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

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 5.70 (ddt, J = 16.8, 10.8, 6.8 Hz, 1H), 5.03 (dd, J = 16.8, 1.4 Hz, 1H), 4.97 (dd, J = 10.8, 1.4 Hz, 1H), 1.27 (d, J = 6.8 Hz, 2H), 0.00 (s, 27H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 136.2, 115.9, 19.5, 0.0.

[M + H]+

[M + H]+ Calcd for C12H33O3Si4 337.1501

[M + Na]+

[M + Na]+ Calcd for C12H32NaO3Si4 359.1321

[M − H]−

[M − H]− Calcd for C12H31O3Si4 335.1356

Elemental analysis

Anal. Calcd for C12H32O3Si4: C, 42.80; H, 9.58.

Weigh it out

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

Names and synonyms

1 name

Allyltris(trimethylsilyloxy)silane

Work with Allyltris(trimethylsiloxy)silane

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

Allyltrimethoxysilane2551-83-952 % similar Allyltriethoxysilane2550-04-148 % similar Allyl trimethylsilyl ether18146-00-446 % similar Dimethyldi-2-propen-1-ylsilane1113-12-846 % similar Allyltrimethylsilane762-72-146 % similar Chloromethyltris(trimethylsiloxy)silane41919-30-642 % similar Tris(trimethylsilyloxy)vinylsilane5356-84-342 % similar Dichloromethyl-2-propen-1-ylsilane1873-92-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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