[6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane

C26H40NSi+ — CID 167365158

IUPAC[6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane
SMILESCc1ccc(C2CCCCC2)cc1-c1cc(CC(C)C)c([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C26H40NSi/c1-19(2)15-23-17-25(27(4)18-26(23)28(5,6)7)24-16-22(14-13-20(24)3)21-11-9-8-10-12-21/h13-14,16-19,21H,8-12,15H2,1-7H3/q+1
InChIKeyMPKSXSWDOCUJDO-UHFFFAOYSA-N
MW394.70 g/mol
LogP6.28
Rot. Bonds5

About [6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane

[6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane (PubChem CID 167365158) has the molecular formula C26H40NSi+ and a molecular weight of 394.70 g/mol. Its IUPAC name is [6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane
PubChem CID167365158
Molecular FormulaC26H40NSi+
Molecular Weight394.70 g/mol
Exact Mass394.29
IUPAC Name[6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane
SMILESCc1ccc(C2CCCCC2)cc1-c1cc(CC(C)C)c([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C26H40NSi/c1-19(2)15-23-17-25(27(4)18-26(23)28(5,6)7)24-16-22(14-13-20(24)3)21-11-9-8-10-12-21/h13-14,16-19,21H,8-12,15H2,1-7H3/q+1
InChIKeyMPKSXSWDOCUJDO-UHFFFAOYSA-N
XLogP6.28
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.70
LogP ≤ 56.28
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

2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium
CID 167365538
5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium
CID 167365718
trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane
CID 157442242
[6-(2-fluoro-6-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane
CID 167364981
2-(5-cyclopentyl-2-methylphenyl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium
CID 140920841
[5-cyclohexyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-trimethylsilane;[5-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-trimethylsilane;[5-(2-ethylbutyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-5-(2-methylbutyl)-2-(2-methylphenyl)pyridin-1-ium-4-yl]silane
CID 158203414
6-cyclohexyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium
CID 170405417
2-(4-cyclohexyl-2-methylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium
CID 123552926
5-(1-deuteriocyclohexyl)-2-[5-(1-deuteriocyclohexyl)-2-methylphenyl]-1-methylpyridin-1-ium
CID 167365566
4-cyclopentyl-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium
CID 161280158
[34-cyclohexyl-11,20-dimethyl-23-methylidene-19,29-bis(2-methylpropyl)-14-oxa-12-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.07,15.08,13.017,22.026,31.032,37]heptatriaconta-4(16),5,7(15),8(13),9,11,17(22),18,20,26(31),27,29,32(37),33,35-pentadecaen-28-yl]-trimethylsilane
CID 174074068
[6-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(2,4-dimethylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane;[4-(cyclopentylmethyl)-1-methyl-6-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;[4-(cyclopentylmethyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylsilane
CID 158357389

Frequently Asked Questions

What is the IUPAC name of [6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane?
The IUPAC name of [6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane (CID 167365158) is [6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane.
What is the SMILES notation for [6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane?
The canonical SMILES for [6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane is Cc1ccc(C2CCCCC2)cc1-c1cc(CC(C)C)c([Si](C)(C)C)c[n+]1C.
What is the InChIKey of [6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane?
The InChIKey is MPKSXSWDOCUJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40NSi/c1-19(2)15-23-17-25(27(4)18-26(23)28(5,6)7)24-16-22(14-13-20(24)3)21-11-9-8-10-12-21/h13-14,16-19,21H,8-12,15H2,1-7H3/q+1.
What are the key properties of [6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane?
[6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane has a molecular weight of 394.70 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane is sourced from PubChem (CID 167365158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).