[4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane

C24H38NSi+ — CID 157377199

IUPAC[4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane
SMILESCc1ccc(C(C)(C)C)cc1-c1cc(C(C)(C)C)c([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C24H38NSi/c1-17-12-13-18(23(2,3)4)14-19(17)21-15-20(24(5,6)7)22(16-25(21)8)26(9,10)11/h12-16H,1-11H3/q+1
InChIKeyYLTJZTXQFXBDKC-UHFFFAOYSA-N
MW368.66 g/mol
LogP5.63
Rot. Bonds2

About [4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane

[4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane (PubChem CID 157377199) has the molecular formula C24H38NSi+ and a molecular weight of 368.66 g/mol. Its IUPAC name is [4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane
PubChem CID157377199
Molecular FormulaC24H38NSi+
Molecular Weight368.66 g/mol
Exact Mass368.28
IUPAC Name[4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane
SMILESCc1ccc(C(C)(C)C)cc1-c1cc(C(C)(C)C)c([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C24H38NSi/c1-17-12-13-18(23(2,3)4)14-19(17)21-15-20(24(5,6)7)22(16-25(21)8)26(9,10)11/h12-16H,1-11H3/q+1
InChIKeyYLTJZTXQFXBDKC-UHFFFAOYSA-N
XLogP5.63
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.66
LogP ≤ 55.63
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'}

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Related Compounds

[1,4-dimethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
CID 171724044
[4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
CID 159368810
5-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methylpyridin-1-ium
CID 172534721
[6-(4-tert-butyl-5-fluoro-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]-trimethylsilane
CID 171724066
2-[6-(4-tert-butyl-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]propan-2-yl-trimethylsilane
CID 167357509
[2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane;[2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-propan-2-ylpyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-5-propan-2-ylpyridin-1-ium-4-yl]silane
CID 158592856
[5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane
CID 159317018
[4-tert-butyl-6-(6-isocyano-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane
CID 154615865
5-butan-2-yl-2-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium
CID 167365769
4-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium
CID 167358284
[2-(5-tert-butyl-2-methylphenyl)-5-cyclopentyl-1-methylpyridin-1-ium-4-yl]-trimethylgermane
CID 160731296
[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

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane?
The IUPAC name of [4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane (CID 157377199) is [4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane.
What is the SMILES notation for [4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane?
The canonical SMILES for [4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane is Cc1ccc(C(C)(C)C)cc1-c1cc(C(C)(C)C)c([Si](C)(C)C)c[n+]1C.
What is the InChIKey of [4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane?
The InChIKey is YLTJZTXQFXBDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38NSi/c1-17-12-13-18(23(2,3)4)14-19(17)21-15-20(24(5,6)7)22(16-25(21)8)26(9,10)11/h12-16H,1-11H3/q+1.
What are the key properties of [4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane?
[4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane has a molecular weight of 368.66 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane is sourced from PubChem (CID 157377199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).