trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane

C20H30NSi+ — CID 157442242

IUPACtrimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane
SMILESCc1ccccc1-c1cc([Si](C)(C)C)c(CC(C)C)c[n+]1C
InChIInChI=1S/C20H30NSi/c1-15(2)12-17-14-21(4)19(13-20(17)22(5,6)7)18-11-9-8-10-16(18)3/h8-11,13-15H,12H2,1-7H3/q+1
InChIKeyXBNYLQQGBATQDQ-UHFFFAOYSA-N
MW312.55 g/mol
LogP4.23
Rot. Bonds4

About trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane

trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane (PubChem CID 157442242) has the molecular formula C20H30NSi+ and a molecular weight of 312.55 g/mol. Its IUPAC name is trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane.

Molecular Properties

Compound Nametrimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane
PubChem CID157442242
Molecular FormulaC20H30NSi+
Molecular Weight312.55 g/mol
Exact Mass312.21
IUPAC Nametrimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane
SMILESCc1ccccc1-c1cc([Si](C)(C)C)c(CC(C)C)c[n+]1C
InChIInChI=1S/C20H30NSi/c1-15(2)12-17-14-21(4)19(13-20(17)22(5,6)7)18-11-9-8-10-16(18)3/h8-11,13-15H,12H2,1-7H3/q+1
InChIKeyXBNYLQQGBATQDQ-UHFFFAOYSA-N
XLogP4.23
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane with MolForge

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Related Compounds

4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium
CID 123730706
6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-ium
CID 123543287
[5-cyclohexyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-trimethylsilane;[5-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-trimethylsilane;[5-(2-ethylbutyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-5-(2-methylbutyl)-2-(2-methylphenyl)pyridin-1-ium-4-yl]silane
CID 158203414
trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane
CID 167365037
[4-(3-ethyl-3-methylpentan-2-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-trimethylsilane
CID 167365261
[6-(2-fluoro-6-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane
CID 167364981
[2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;[2-(2,4-dimethylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane
CID 158210979
2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium
CID 153461119
1-methyl-2-(2-methylphenyl)-4,7-bis(2-methylpropyl)quinolin-1-ium
CID 170404969
5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 157161414
2-(2,4-dimethyl-5-phenylphenyl)-1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium
CID 153461114
trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]silane
CID 158976936

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane?
The IUPAC name of trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane (CID 157442242) is trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane.
What is the SMILES notation for trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane?
The canonical SMILES for trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane is Cc1ccccc1-c1cc([Si](C)(C)C)c(CC(C)C)c[n+]1C.
What is the InChIKey of trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane?
The InChIKey is XBNYLQQGBATQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30NSi/c1-15(2)12-17-14-21(4)19(13-20(17)22(5,6)7)18-11-9-8-10-16(18)3/h8-11,13-15H,12H2,1-7H3/q+1.
What are the key properties of trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane?
trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane has a molecular weight of 312.55 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane is sourced from PubChem (CID 157442242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).