Cetyl trimethoxysilane

C19H42O3SiCAS 16415-12-6346.63 g/mol

Open in Covalent MOL file
SiOOO
Silyl ether

Properties

Molecular formula
C19H42O3Si
Molar mass
346.63 g/mol
Exact mass
346.2903 Da
Density
0.89 g/mL
Melting point
−1 °C
Boiling point
155 °C (at 0.2 Torr)
logP
6.35Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
18

Hazards

Warning
Irritant (GHS07)

Aggregated from 147 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
16415-12-6
SMILES
CCCCCCCCCCCCCCCC[Si](OC)(OC)OC
InChIKey
RSKGMYDENCAJEN-UHFFFAOYSA-N
InChI
InChI=1S/C19H42O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20-2,21-3)22-4/h5-19H2,1-4H3
Characterization data

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

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 3.50 (s, 9H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.22 (m, J = 7.0 Hz, 2H), 0.86 (t, J = 7.0 Hz, 3H), 0.50 (t, J = 7.0 Hz, 2H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 46.7, 32.5, 31.5, 30.3, 30.3, 30.3, 30.3, 30.3, 30.3, 30.3, 30.3, 30.0, 30.0, 25.1, 23.1, 16.3, 14.0.
[M + H]+
[M + H]+ Calcd for C19H43O3Si 347.2976
[M + Na]+
[M + Na]+ Calcd for C19H42NaO3Si 369.2795
[M − H]−
[M − H]− Calcd for C19H41O3Si 345.2830
Elemental analysis
Anal. Calcd for C19H42O3Si: C, 65.84; H, 12.21.

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Names and synonyms

18 names · show all
  • Hexadecyltrimethoxysilane
  • Silane, hexadecyltrimethoxy-
  • AY 43-216MC
  • n-Hexadecyltrimethoxysilane
  • Dynasylan 9116
  • Silane 116
  • Si 116
  • VP-Si 116
  • Trimethoxyhexadecylsilane
  • Cetyltrimethoxysilane
  • Silane 25013VP
  • Cetyltrimethylsilane
  • QX 1613
  • KH 310
  • CG 1613
  • H 1376
  • SIH 5925.0
  • Kh 1631

Work with Cetyl trimethoxysilane

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

Hexyltrimethoxysilane3069-19-0100 % similar Dodecyltrimethoxysilane3069-21-4100 % similar Trimethoxycaprylylsilane3069-40-7100 % similar Octadecyltrimethoxysilane3069-42-9100 % similar Decyltrimethoxysilane5575-48-4100 % similar Butyltrimethoxysilane1067-57-881 % similar 1,6-Bis(trimethoxysilyl)hexane87135-01-175 % similar Propyltrimethoxysilane1067-25-064 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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