2-[6-(4-tert-butyl-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]propan-2-yl-trimethylsilane

C24H38NSi+ — CID 167357509

About 2-[6-(4-tert-butyl-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]propan-2-yl-trimethylsilane

2-[6-(4-tert-butyl-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]propan-2-yl-trimethylsilane (PubChem CID 167357509) has the molecular formula C24H38NSi+ and a molecular weight of 368.66 g/mol. Its IUPAC name is 2-[6-(4-tert-butyl-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]propan-2-yl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[6-(4-tert-butyl-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]propan-2-yl-trimethylsilane
• PubChem CID: 167357509
• Molecular Formula: C24H38NSi+
• Molecular Weight: 368.66 g/mol
• Exact Mass: 368.28
• IUPAC Name: 2-[6-(4-tert-butyl-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]propan-2-yl-trimethylsilane
• SMILES: Cc1cc(C(C)(C)C)ccc1-c1cc(C)c(C(C)(C)[Si](C)(C)C)c[n+]1C
• InChI: InChI=1S/C24H38NSi/c1-17-14-19(23(3,4)5)12-13-20(17)22-15-18(2)21(16-25(22)8)24(6,7)26(9,10)11/h12-16H,1-11H3/q+1
• InChIKey: MSVWKLYBYQEUBF-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 3.88 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.66
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-tert-butyl-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]propan-2-yl-trimethylsilane?

The IUPAC name of 2-[6-(4-tert-butyl-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]propan-2-yl-trimethylsilane (CID 167357509) is 2-[6-(4-tert-butyl-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]propan-2-yl-trimethylsilane.

What is the SMILES notation for 2-[6-(4-tert-butyl-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]propan-2-yl-trimethylsilane?

The canonical SMILES for 2-[6-(4-tert-butyl-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]propan-2-yl-trimethylsilane is Cc1cc(C(C)(C)C)ccc1-c1cc(C)c(C(C)(C)[Si](C)(C)C)c[n+]1C.

What is the InChIKey of 2-[6-(4-tert-butyl-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]propan-2-yl-trimethylsilane?

The InChIKey is MSVWKLYBYQEUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38NSi/c1-17-14-19(23(3,4)5)12-13-20(17)22-15-18(2)21(16-25(22)8)24(6,7)26(9,10)11/h12-16H,1-11H3/q+1.

What are the key properties of 2-[6-(4-tert-butyl-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]propan-2-yl-trimethylsilane?

2-[6-(4-tert-butyl-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]propan-2-yl-trimethylsilane has a molecular weight of 368.66 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-tert-butyl-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]propan-2-yl-trimethylsilane is sourced from PubChem (CID 167357509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).