[4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane

C24H38NSi+ — CID 159368810

IUPAC[4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
SMILESCc1cc(CC(C)C)ccc1-c1cc(C(C)(C)C)c([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C24H38NSi/c1-17(2)13-19-11-12-20(18(3)14-19)22-15-21(24(4,5)6)23(16-25(22)7)26(8,9)10/h11-12,14-17H,13H2,1-10H3/q+1
InChIKeyXPCCCNKCAQDMRQ-UHFFFAOYSA-N
MW368.66 g/mol
LogP5.53
Rot. Bonds4

About [4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane

[4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane (PubChem CID 159368810) has the molecular formula C24H38NSi+ and a molecular weight of 368.66 g/mol. Its IUPAC name is [4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
PubChem CID159368810
Molecular FormulaC24H38NSi+
Molecular Weight368.66 g/mol
Exact Mass368.28
IUPAC Name[4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
SMILESCc1cc(CC(C)C)ccc1-c1cc(C(C)(C)C)c([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C24H38NSi/c1-17(2)13-19-11-12-20(18(3)14-19)22-15-21(24(4,5)6)23(16-25(22)7)26(8,9)10/h11-12,14-17H,13H2,1-10H3/q+1
InChIKeyXPCCCNKCAQDMRQ-UHFFFAOYSA-N
XLogP5.53
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.66
LogP ≤ 55.53
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 [4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]silane
CID 158976936
4-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium
CID 167358284
[4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane
CID 157377199
4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium
CID 160661708
trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane
CID 159056886
[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
[6-(4-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane;[4-(cyclopentylmethyl)-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane;[1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]silane
CID 160910554
[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
trimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane
CID 158022992
trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane
CID 157442242
[4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane;[4-tert-butyl-6-(2,4-dimethylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane;[4-tert-butyl-1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane;[4-tert-butyl-1-methyl-6-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane
CID 159208889
1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium
CID 123682313

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane?
The IUPAC name of [4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane (CID 159368810) is [4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane.
What is the SMILES notation for [4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane?
The canonical SMILES for [4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane is Cc1cc(CC(C)C)ccc1-c1cc(C(C)(C)C)c([Si](C)(C)C)c[n+]1C.
What is the InChIKey of [4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane?
The InChIKey is XPCCCNKCAQDMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38NSi/c1-17(2)13-19-11-12-20(18(3)14-19)22-15-21(24(4,5)6)23(16-25(22)7)26(8,9)10/h11-12,14-17H,13H2,1-10H3/q+1.
What are the key properties of [4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane?
[4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane has a molecular weight of 368.66 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane is sourced from PubChem (CID 159368810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).