[2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane

C20H30GeN+ — CID 158154791

IUPAC[2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane
SMILESCc1cc(C(C)(C)C)ccc1-c1cc([Ge](C)(C)C)cc[n+]1C
InChIInChI=1S/C20H30GeN/c1-15-13-16(20(2,3)4)9-10-18(15)19-14-17(21(5,6)7)11-12-22(19)8/h9-14H,1-8H3/q+1
InChIKeyMIPJSHRBFIODHH-UHFFFAOYSA-N
MW357.08 g/mol
LogP4.33
Rot. Bonds2

About [2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane

[2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane (PubChem CID 158154791) has the molecular formula C20H30GeN+ and a molecular weight of 357.08 g/mol. Its IUPAC name is [2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane.

Molecular Properties

Compound Name[2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane
PubChem CID158154791
Molecular FormulaC20H30GeN+
Molecular Weight357.08 g/mol
Exact Mass358.16
IUPAC Name[2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane
SMILESCc1cc(C(C)(C)C)ccc1-c1cc([Ge](C)(C)C)cc[n+]1C
InChIInChI=1S/C20H30GeN/c1-15-13-16(20(2,3)4)9-10-18(15)19-14-17(21(5,6)7)11-12-22(19)8/h9-14H,1-8H3/q+1
InChIKeyMIPJSHRBFIODHH-UHFFFAOYSA-N
XLogP4.33
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.08
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane?
The IUPAC name of [2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane (CID 158154791) is [2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane.
What is the SMILES notation for [2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane?
The canonical SMILES for [2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane is Cc1cc(C(C)(C)C)ccc1-c1cc([Ge](C)(C)C)cc[n+]1C.
What is the InChIKey of [2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane?
The InChIKey is MIPJSHRBFIODHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30GeN/c1-15-13-16(20(2,3)4)9-10-18(15)19-14-17(21(5,6)7)11-12-22(19)8/h9-14H,1-8H3/q+1.
What are the key properties of [2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane?
[2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane has a molecular weight of 357.08 g/mol, XLogP of 4.33, 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)-1-methylpyridin-1-ium-4-yl]-trimethylgermane is sourced from PubChem (CID 158154791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).