[4-(3-ethyl-3-methylpentan-2-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-trimethylsilane

C24H38NSi+ — CID 167365261

IUPAC[4-(3-ethyl-3-methylpentan-2-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-trimethylsilane
SMILESCCC(C)(CC)C(C)c1cc(-c2ccccc2C)[n+](C)cc1[Si](C)(C)C
InChIInChI=1S/C24H38NSi/c1-10-24(5,11-2)19(4)21-16-22(20-15-13-12-14-18(20)3)25(6)17-23(21)26(7,8)9/h12-17,19H,10-11H2,1-9H3/q+1
InChIKeyXJMHQVWPURBWOU-UHFFFAOYSA-N
MW368.66 g/mol
LogP5.96
Rot. Bonds6

About [4-(3-ethyl-3-methylpentan-2-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-trimethylsilane

[4-(3-ethyl-3-methylpentan-2-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-trimethylsilane (PubChem CID 167365261) has the molecular formula C24H38NSi+ and a molecular weight of 368.66 g/mol. Its IUPAC name is [4-(3-ethyl-3-methylpentan-2-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-(3-ethyl-3-methylpentan-2-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-trimethylsilane
PubChem CID167365261
Molecular FormulaC24H38NSi+
Molecular Weight368.66 g/mol
Exact Mass368.28
IUPAC Name[4-(3-ethyl-3-methylpentan-2-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-trimethylsilane
SMILESCCC(C)(CC)C(C)c1cc(-c2ccccc2C)[n+](C)cc1[Si](C)(C)C
InChIInChI=1S/C24H38NSi/c1-10-24(5,11-2)19(4)21-16-22(20-15-13-12-14-18(20)3)25(6)17-23(21)26(7,8)9/h12-17,19H,10-11H2,1-9H3/q+1
InChIKeyXJMHQVWPURBWOU-UHFFFAOYSA-N
XLogP5.96
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.66
LogP ≤ 55.96
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

trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane
CID 157442242
trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane
CID 167365037
1-methyl-5-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 164733744
4,5-bis(2-deuteriopropan-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140878082
4-tert-butyl-1-methyl-2-(2-methylphenyl)-5-propan-2-ylpyridin-1-ium
CID 164727662
trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]silane
CID 158976936
1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 153461108
4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium
CID 123730706
[4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
CID 159368810
1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 164777910
4-ethyl-1-methyl-2-(2-methylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium
CID 157088758
5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 157161414

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethyl-3-methylpentan-2-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-trimethylsilane?
The IUPAC name of [4-(3-ethyl-3-methylpentan-2-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-trimethylsilane (CID 167365261) is [4-(3-ethyl-3-methylpentan-2-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-trimethylsilane.
What is the SMILES notation for [4-(3-ethyl-3-methylpentan-2-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-trimethylsilane?
The canonical SMILES for [4-(3-ethyl-3-methylpentan-2-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-trimethylsilane is CCC(C)(CC)C(C)c1cc(-c2ccccc2C)[n+](C)cc1[Si](C)(C)C.
What is the InChIKey of [4-(3-ethyl-3-methylpentan-2-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-trimethylsilane?
The InChIKey is XJMHQVWPURBWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38NSi/c1-10-24(5,11-2)19(4)21-16-22(20-15-13-12-14-18(20)3)25(6)17-23(21)26(7,8)9/h12-17,19H,10-11H2,1-9H3/q+1.
What are the key properties of [4-(3-ethyl-3-methylpentan-2-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-trimethylsilane?
[4-(3-ethyl-3-methylpentan-2-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-trimethylsilane has a molecular weight of 368.66 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethyl-3-methylpentan-2-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-trimethylsilane is sourced from PubChem (CID 167365261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).