Allyltriphenylsilane

C₂₁H₂₀SiCAS 18752-21-1300.48 g/mol

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Alkene

Properties

Molecular formula: C₂₁H₂₀Si
Molar mass: 300.48 g/mol
Exact mass: 300.1334 Da
logP: 3.34Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number

18752-21-1

SMILES

C=CC[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChIKey

DXJZZRSMGLGFPW-UHFFFAOYSA-N

InChI

InChI=1S/C21H20Si/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h2-17H,1,18H2

Characterization data

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

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.58 (dd, J = 7.7, 1.6 Hz, 6H), 7.34 (m, J = 7.7 Hz, 6H), 7.34 (m, J = 7.7, 1.6 Hz, 3H), 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).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 140.0, 136.2, 133.3, 128.8, 127.7, 115.9, 19.5.

[M + H]+

[M + H]+ Calcd for C21H21Si 301.1407

[M + Na]+

[M + Na]+ Calcd for C21H20NaSi 323.1226

[M − H]−

[M − H]− Calcd for C21H19Si 299.1262

Elemental analysis

Anal. Calcd for C21H20Si: C, 83.94; H, 6.71.