[2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane

C20H30NSi+ — CID 160741756

IUPAC[2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane
SMILESCc1ccc(-c2cc([Si](C)(C)C)c(C(C)C)c[n+]2C)c(C)c1
InChIInChI=1S/C20H30NSi/c1-14(2)18-13-21(5)19(12-20(18)22(6,7)8)17-10-9-15(3)11-16(17)4/h9-14H,1-8H3/q+1
InChIKeyJWMWQJLAMXPSGO-UHFFFAOYSA-N
MW312.55 g/mol
LogP4.46
Rot. Bonds3

About [2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane

[2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane (PubChem CID 160741756) has the molecular formula C20H30NSi+ and a molecular weight of 312.55 g/mol. Its IUPAC name is [2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane
PubChem CID160741756
Molecular FormulaC20H30NSi+
Molecular Weight312.55 g/mol
Exact Mass312.21
IUPAC Name[2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane
SMILESCc1ccc(-c2cc([Si](C)(C)C)c(C(C)C)c[n+]2C)c(C)c1
InChIInChI=1S/C20H30NSi/c1-14(2)18-13-21(5)19(12-20(18)22(6,7)8)17-10-9-15(3)11-16(17)4/h9-14H,1-8H3/q+1
InChIKeyJWMWQJLAMXPSGO-UHFFFAOYSA-N
XLogP4.46
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 54.46
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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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane?
The IUPAC name of [2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane (CID 160741756) is [2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane.
What is the SMILES notation for [2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane?
The canonical SMILES for [2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane is Cc1ccc(-c2cc([Si](C)(C)C)c(C(C)C)c[n+]2C)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane?
The InChIKey is JWMWQJLAMXPSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30NSi/c1-14(2)18-13-21(5)19(12-20(18)22(6,7)8)17-10-9-15(3)11-16(17)4/h9-14H,1-8H3/q+1.
What are the key properties of [2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane?
[2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane has a molecular weight of 312.55 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane is sourced from PubChem (CID 160741756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).