Trioctylsilane

C24H52SiCAS 18765-09-8368.77 g/mol

Open in Covalent MOL file
SiH

Properties

Molecular formula
C24H52Si
Molar mass
368.77 g/mol
Exact mass
368.3838 Da
Density
0.82 g/mL
Boiling point
163–165 °C (at 0.15 Torr)
logP
9.29Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
21

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
18765-09-8
SMILES
CCCCCCCC[SiH](CCCCCCCC)CCCCCCCC
InChIKey
JBAALNCKQCMFDH-UHFFFAOYSA-N
InChI
InChI=1S/C24H52Si/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h25H,4-24H2,1-3H3
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), 1.27 (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 32.5, 31.5, 30.0, 30.0, 25.1, 23.1, 16.3, 14.0.
[M + H]+
[M + H]+ Calcd for C24H53Si 369.3911
[M + Na]+
[M + Na]+ Calcd for C24H52NaSi 391.3730
[M − H]−
[M − H]− Calcd for C24H51Si 367.3766
Elemental analysis
Anal. Calcd for C24H52Si: C, 78.17; H, 14.21.

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Names and synonyms

2 names
  • Silane, trioctyl-
  • NSC 139862

Work with Trioctylsilane

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

Trihexylsilane2929-52-4100 % 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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