2-(4-tert-butyl-2-methylphenyl)-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium

C24H36NSi+ — CID 167357945

IUPAC2-(4-tert-butyl-2-methylphenyl)-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium
SMILESCc1cc(C(C)(C)C)ccc1-c1ccc(C2CC[Si](C)(C)CC2)c[n+]1C
InChIInChI=1S/C24H36NSi/c1-18-16-21(24(2,3)4)9-10-22(18)23-11-8-20(17-25(23)5)19-12-14-26(6,7)15-13-19/h8-11,16-17,19H,12-15H2,1-7H3/q+1
InChIKeyDTZCGVWEBIEDMC-UHFFFAOYSA-N
MW366.65 g/mol
LogP6.37
Rot. Bonds2

About 2-(4-tert-butyl-2-methylphenyl)-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium

2-(4-tert-butyl-2-methylphenyl)-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium (PubChem CID 167357945) has the molecular formula C24H36NSi+ and a molecular weight of 366.65 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenyl)-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenyl)-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium
PubChem CID167357945
Molecular FormulaC24H36NSi+
Molecular Weight366.65 g/mol
Exact Mass366.26
IUPAC Name2-(4-tert-butyl-2-methylphenyl)-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium
SMILESCc1cc(C(C)(C)C)ccc1-c1ccc(C2CC[Si](C)(C)CC2)c[n+]1C
InChIInChI=1S/C24H36NSi/c1-18-16-21(24(2,3)4)9-10-22(18)23-11-8-20(17-25(23)5)19-12-14-26(6,7)15-13-19/h8-11,16-17,19H,12-15H2,1-7H3/q+1
InChIKeyDTZCGVWEBIEDMC-UHFFFAOYSA-N
XLogP6.37
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.65
LogP ≤ 56.37
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-[4-(2-cyclopentylpropan-2-yl)-2-methylphenyl]-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium
CID 167357626
2-(4-tert-butyl-2-methylphenyl)-5-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium
CID 167358193
2-(4-tert-butyl-2-methylphenyl)-5-(1-deuterio-4,4-dimethylcyclohexyl)-1-methylpyridin-1-ium
CID 167357472
5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 156621814
2-(4-tert-butyl-2-methylphenyl)-1,5-dimethylpyridin-1-ium
CID 123976026
5-cyclopentyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium
CID 167357792
5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium
CID 167365718
5-cyclohexyl-1-methyl-2-[2-methyl-4-(1,4,4-trimethylcyclohexyl)phenyl]pyridin-1-ium
CID 167358019
5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium
CID 167358000
2-[6-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-2-methylpropanenitrile
CID 167357486
5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-4-cyclohexyl-1-methylpyridin-1-ium
CID 167358217
2-(4-tert-butyl-2-methylphenyl)-1,4-dimethyl-5-phenylpyridin-1-ium
CID 167357881

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenyl)-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium?
The IUPAC name of 2-(4-tert-butyl-2-methylphenyl)-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium (CID 167357945) is 2-(4-tert-butyl-2-methylphenyl)-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenyl)-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenyl)-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium is Cc1cc(C(C)(C)C)ccc1-c1ccc(C2CC[Si](C)(C)CC2)c[n+]1C.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenyl)-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium?
The InChIKey is DTZCGVWEBIEDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36NSi/c1-18-16-21(24(2,3)4)9-10-22(18)23-11-8-20(17-25(23)5)19-12-14-26(6,7)15-13-19/h8-11,16-17,19H,12-15H2,1-7H3/q+1.
What are the key properties of 2-(4-tert-butyl-2-methylphenyl)-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium?
2-(4-tert-butyl-2-methylphenyl)-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium has a molecular weight of 366.65 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenyl)-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium is sourced from PubChem (CID 167357945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).