Allyltriisopropylsilane

C₁₂H₂₆SiCAS 24400-84-8198.42 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₁₂H₂₆Si
Molar mass: 198.42 g/mol
Exact mass: 198.1804 Da
logP: 4.85Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

24400-84-8

SMILES

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

InChIKey

AKQHUJRZKBYZLC-UHFFFAOYSA-N

InChI

InChI=1S/C12H26Si/c1-8-9-13(10(2)3,11(4)5)12(6)7/h8,10-12H,1,9H2,2-7H3

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), 0.81 (m, J = 7.0 Hz, 18H), 0.80 (m, J = 7.0 Hz, 3H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 136.2, 115.9, 19.5, 18.2, 17.1.

[M + H]+

[M + H]+ Calcd for C12H27Si 199.1877

[M + Na]+

[M + Na]+ Calcd for C12H26NaSi 221.1696

[M − H]−

[M − H]− Calcd for C12H25Si 197.1731

Elemental analysis

Anal. Calcd for C12H26Si: C, 72.64; H, 13.21.

Weigh it out

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

Work with Allyltriisopropylsilane

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

Dimethyldi-2-propen-1-ylsilane1113-12-843 % similar Allyltrimethylsilane762-72-143 % similar Tetraallylsilane1112-66-943 % similar Dichloromethyl-2-propen-1-ylsilane1873-92-338 % similar Allyltrimethoxysilane2551-83-938 % similar Chlorodimethyl-2-propen-1-ylsilane4028-23-338 % similar Allyltrichlorosilane107-37-938 % similar 4-Methyl-1-pentene691-37-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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