trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethoxy)silane

C10H16F3NO4SSi — CID 134886401

IUPACtrifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethoxy)silane
SMILESC[Si](C)(C)OC[n+]1ccccc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C9H16NOSi.CHF3O3S/c1-12(2,3)11-9-10-7-5-4-6-8-10;2-1(3,4)8(5,6)7/h4-8H,9H2,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKeyXTJOYSNXAXOYSL-UHFFFAOYSA-M
MW331.39 g/mol
LogP1.83
Rot. Bonds3

About trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethoxy)silane

trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethoxy)silane (PubChem CID 134886401) has the molecular formula C10H16F3NO4SSi and a molecular weight of 331.39 g/mol. Its IUPAC name is trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethoxy)silane.

Molecular Properties

Compound Nametrifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethoxy)silane
PubChem CID134886401
Molecular FormulaC10H16F3NO4SSi
Molecular Weight331.39 g/mol
Exact Mass331.05
IUPAC Nametrifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethoxy)silane
SMILESC[Si](C)(C)OC[n+]1ccccc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C9H16NOSi.CHF3O3S/c1-12(2,3)11-9-10-7-5-4-6-8-10;2-1(3,4)8(5,6)7/h4-8H,9H2,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKeyXTJOYSNXAXOYSL-UHFFFAOYSA-M
XLogP1.83
TPSA70.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

3-(1-Pyridinio)-1-propanesulfonate
CID 84929
1-Butylpyridinium triflate
CID 2734248
1-Butyl-3-methylpyridinium trifluoromethanesulfonate
CID 23079882
Pyridinium, 1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-, trifluoromethanesulfonate
CID 212833
1-Ethylpyridinium trifluoromethanesulfonate
CID 13638937
1-Ethyl-3-methylpyridinium perfluorobutanesulfonate
CID 87508944
1-Hexylpyridinium trifluoromethanesulfonate
CID 2734249
1-Butyl-4-methylpyridinium trifluoromethanesulfonate
CID 60196392
Pyridinium, 1-fluoro-, 1,1,1-trifluoromethanesulfonate (1:1)
CID 2724576
1-Butylpyridinium perfluoro-1-butanesulfonate
CID 22678964
1-Hexadecylpyridinium perfluoro-1-butanesulfonate
CID 22678966
1-Hexadecylpyridinium perfluoro-1-octanesulfonate
CID 22678970

Frequently Asked Questions

What is the IUPAC name of trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethoxy)silane?
The IUPAC name of trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethoxy)silane (CID 134886401) is trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethoxy)silane.
What is the SMILES notation for trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethoxy)silane?
The canonical SMILES for trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethoxy)silane is C[Si](C)(C)OC[n+]1ccccc1.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethoxy)silane?
The InChIKey is XTJOYSNXAXOYSL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H16NOSi.CHF3O3S/c1-12(2,3)11-9-10-7-5-4-6-8-10;2-1(3,4)8(5,6)7/h4-8H,9H2,1-3H3;(H,5,6,7)/q+1;/p-1.
What are the key properties of trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethoxy)silane?
trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethoxy)silane has a molecular weight of 331.39 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethoxy)silane is sourced from PubChem (CID 134886401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).