Trihexylsilane

C18H40SiCAS 2929-52-4284.60 g/mol

Open in Covalent MOL file
SiH

Properties

Molecular formula
C18H40Si
Molar mass
284.60 g/mol
Exact mass
284.2899 Da
Density
0.8 g/mL
Boiling point
160–161 °C (at 5 Torr)
logP
6.95Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
15

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
2929-52-4
SMILES
CCCCCC[SiH](CCCCCC)CCCCCC
InChIKey
IBNSYFQZHBBNLR-UHFFFAOYSA-N
InChI
InChI=1S/C18H40Si/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h19H,4-18H2,1-3H3
Characterization data

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

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 4.00 (br s, 1H), 1.27 (m, J = 7.0 Hz, 6H), 1.27 (m, J = 7.0 Hz, 6H), 1.27 (m, J = 7.0 Hz, 6H), 1.22 (m, J = 7.0 Hz, 6H), 0.86 (t, J = 7.0 Hz, 9H), 0.50 (t, J = 7.0 Hz, 6H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 32.2, 31.2, 25.1, 23.1, 16.3, 14.0.
[M + H]+
[M + H]+ Calcd for C18H41Si 285.2972
[M + Na]+
[M + Na]+ Calcd for C18H40NaSi 307.2791
[M − H]−
[M − H]− Calcd for C18H39Si 283.2827
Elemental analysis
Anal. Calcd for C18H40Si: C, 75.96; H, 14.17.

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Names and synonyms

3 names
  • Silane, trihexyl-
  • Tri-n-hexylsilane
  • NSC 139856

Work with Trihexylsilane

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

Trioctylsilane18765-09-8100 % similar Octane111-65-960 % similar Nonane111-84-260 % similar Dodecane112-40-360 % similar Icosane112-95-860 % similar Undecane1120-21-460 % similar Decane124-18-560 % similar Tetratriacontane14167-59-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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