[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

C85H126N4Si4+4 — CID 160910554

About [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

[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 (PubChem CID 160910554) has the molecular formula C85H126N4Si4+4 and a molecular weight of 1316.31 g/mol. Its IUPAC name is [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.

Molecular Properties

• Compound Name: [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
• PubChem CID: 160910554
• Molecular Formula: C85H126N4Si4+4
• Molecular Weight: 1316.31 g/mol
• Exact Mass: 1314.90
• IUPAC Name: [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
• SMILES: Cc1cc(C(C)(C)C)ccc1-c1cc(CC2CCCC2)c([Si](C)(C)C)c[n+]1C.Cc1cc(CC(C)C)ccc1-c1cc(CC2CCCC2)c([Si](C)(C)C)c[n+]1C.Cc1ccccc1-c1cc([Si](C)(C)C)c(C)c[n+]1C.Cc1ccccc1-c1cc([Si](C)(C)C)cc[n+]1C
• InChI: InChI=1S/2C26H40NSi.C17H24NSi.C16H22NSi/c1-19-15-22(26(2,3)4)13-14-23(19)24-17-21(16-20-11-9-10-12-20)25(18-27(24)5)28(6,7)8;1-19(2)14-22-12-13-24(20(3)15-22)25-17-23(16-21-10-8-9-11-21)26(18-27(25)4)28(5,6)7;1-13-9-7-8-10-15(13)16-11-17(19(4,5)6)14(2)12-18(16)3;1-13-8-6-7-9-15(13)16-12-14(18(3,4)5)10-11-17(16)2/h13-15,17-18,20H,9-12,16H2,1-8H3;12-13,15,17-19,21H,8-11,14,16H2,1-7H3;7-12H,1-6H3;6-12H,1-5H3/q4*+1
• InChIKey: KYOIROQYMCGRNH-UHFFFAOYSA-N
• XLogP: 18.40
• TPSA: 15.52 Ų
• Rotatable Bonds: 14
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1316.31
LogP ≤ 5	18.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [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?

The IUPAC name of [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) is [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.

What is the SMILES notation for [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?

The canonical SMILES for [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 is Cc1cc(C(C)(C)C)ccc1-c1cc(CC2CCCC2)c([Si](C)(C)C)c[n+]1C.Cc1cc(CC(C)C)ccc1-c1cc(CC2CCCC2)c([Si](C)(C)C)c[n+]1C.Cc1ccccc1-c1cc([Si](C)(C)C)c(C)c[n+]1C.Cc1ccccc1-c1cc([Si](C)(C)C)cc[n+]1C.

What is the InChIKey of [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?

The InChIKey is KYOIROQYMCGRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H40NSi.C17H24NSi.C16H22NSi/c1-19-15-22(26(2,3)4)13-14-23(19)24-17-21(16-20-11-9-10-12-20)25(18-27(24)5)28(6,7)8;1-19(2)14-22-12-13-24(20(3)15-22)25-17-23(16-21-10-8-9-11-21)26(18-27(25)4)28(5,6)7;1-13-9-7-8-10-15(13)16-11-17(19(4,5)6)14(2)12-18(16)3;1-13-8-6-7-9-15(13)16-12-14(18(3,4)5)10-11-17(16)2/h13-15,17-18,20H,9-12,16H2,1-8H3;12-13,15,17-19,21H,8-11,14,16H2,1-7H3;7-12H,1-6H3;6-12H,1-5H3/q4*+1.

What are the key properties of [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?

[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 has a molecular weight of 1316.31 g/mol, XLogP of 18.40, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [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 is sourced from PubChem (CID 160910554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).