2-[4-(2-cyclopentylpropan-2-yl)-2-methylphenyl]-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium

C28H42NSi+ — CID 167357626

IUPAC2-[4-(2-cyclopentylpropan-2-yl)-2-methylphenyl]-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium
SMILESCc1cc(C(C)(C)C2CCCC2)ccc1-c1ccc(C2CC[Si](C)(C)CC2)c[n+]1C
InChIInChI=1S/C28H42NSi/c1-21-19-25(28(2,3)24-9-7-8-10-24)12-13-26(21)27-14-11-23(20-29(27)4)22-15-17-30(5,6)18-16-22/h11-14,19-20,22,24H,7-10,15-18H2,1-6H3/q+1
InChIKeyGDLXJPWZDYOBKP-UHFFFAOYSA-N
MW420.74 g/mol
LogP7.54
Rot. Bonds4

About 2-[4-(2-cyclopentylpropan-2-yl)-2-methylphenyl]-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium

2-[4-(2-cyclopentylpropan-2-yl)-2-methylphenyl]-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium (PubChem CID 167357626) has the molecular formula C28H42NSi+ and a molecular weight of 420.74 g/mol. Its IUPAC name is 2-[4-(2-cyclopentylpropan-2-yl)-2-methylphenyl]-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-[4-(2-cyclopentylpropan-2-yl)-2-methylphenyl]-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium
PubChem CID167357626
Molecular FormulaC28H42NSi+
Molecular Weight420.74 g/mol
Exact Mass420.31
IUPAC Name2-[4-(2-cyclopentylpropan-2-yl)-2-methylphenyl]-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium
SMILESCc1cc(C(C)(C)C2CCCC2)ccc1-c1ccc(C2CC[Si](C)(C)CC2)c[n+]1C
InChIInChI=1S/C28H42NSi/c1-21-19-25(28(2,3)24-9-7-8-10-24)12-13-26(21)27-14-11-23(20-29(27)4)22-15-17-30(5,6)18-16-22/h11-14,19-20,22,24H,7-10,15-18H2,1-6H3/q+1
InChIKeyGDLXJPWZDYOBKP-UHFFFAOYSA-N
XLogP7.54
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.74
LogP ≤ 57.54
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 2-[4-(2-cyclopentylpropan-2-yl)-2-methylphenyl]-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium with MolForge

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Launch Full Analysis

Related Compounds

2-(4-tert-butyl-2-methylphenyl)-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium
CID 167357945
2-[6-[4-(2-cyclohexylpropan-2-yl)-2-methylphenyl]-1-methylpyridin-1-ium-3-yl]propan-2-yl-trimethylsilane
CID 167357882
2-[4-(2-cyclohexylpropan-2-yl)-2-methylphenyl]-1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-1-ium
CID 167357731
5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 156621814
2-(4-tert-butyl-2-methylphenyl)-5-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium
CID 167358193
2-(4-tert-butyl-2-methylphenyl)-5-(2-cyclopentylpropan-2-yl)-1,4-dimethylpyridin-1-ium
CID 167357583
5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium
CID 167365718
5-cyclopentyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium
CID 167357792
5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium
CID 167358000
5-cyclohexyl-1-methyl-2-[2-methyl-4-(1,4,4-trimethylcyclohexyl)phenyl]pyridin-1-ium
CID 167358019
2-(4-tert-butyl-2-methylphenyl)-5-(1-deuterio-4,4-dimethylcyclohexyl)-1-methylpyridin-1-ium
CID 167357472
2-(4-tert-butyl-2-methylphenyl)-1,5-dimethylpyridin-1-ium
CID 123976026

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopentylpropan-2-yl)-2-methylphenyl]-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium?
The IUPAC name of 2-[4-(2-cyclopentylpropan-2-yl)-2-methylphenyl]-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium (CID 167357626) is 2-[4-(2-cyclopentylpropan-2-yl)-2-methylphenyl]-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium.
What is the SMILES notation for 2-[4-(2-cyclopentylpropan-2-yl)-2-methylphenyl]-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium?
The canonical SMILES for 2-[4-(2-cyclopentylpropan-2-yl)-2-methylphenyl]-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium is Cc1cc(C(C)(C)C2CCCC2)ccc1-c1ccc(C2CC[Si](C)(C)CC2)c[n+]1C.
What is the InChIKey of 2-[4-(2-cyclopentylpropan-2-yl)-2-methylphenyl]-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium?
The InChIKey is GDLXJPWZDYOBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42NSi/c1-21-19-25(28(2,3)24-9-7-8-10-24)12-13-26(21)27-14-11-23(20-29(27)4)22-15-17-30(5,6)18-16-22/h11-14,19-20,22,24H,7-10,15-18H2,1-6H3/q+1.
What are the key properties of 2-[4-(2-cyclopentylpropan-2-yl)-2-methylphenyl]-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium?
2-[4-(2-cyclopentylpropan-2-yl)-2-methylphenyl]-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium has a molecular weight of 420.74 g/mol, XLogP of 7.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopentylpropan-2-yl)-2-methylphenyl]-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium is sourced from PubChem (CID 167357626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).