tert-butyl-diethyl-[1-(5-ethyl-2,3,4-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]silane

C29H42NSi+ — CID 155637750

IUPACtert-butyl-diethyl-[1-(5-ethyl-2,3,4-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]silane
SMILESCCc1cc(-c2c3ccc([Si](CC)(CC)C(C)(C)C)cc3cc[n+]2C)c(C)c(C)c1C
InChIInChI=1S/C29H42NSi/c1-11-23-19-27(22(6)20(4)21(23)5)28-26-15-14-25(18-24(26)16-17-30(28)10)31(12-2,13-3)29(7,8)9/h14-19H,11-13H2,1-10H3/q+1
InChIKeyJZWYUQVMGWKVRJ-UHFFFAOYSA-N
MW432.75 g/mol
LogP7.31
Rot. Bonds5

About tert-butyl-diethyl-[1-(5-ethyl-2,3,4-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]silane

tert-butyl-diethyl-[1-(5-ethyl-2,3,4-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]silane (PubChem CID 155637750) has the molecular formula C29H42NSi+ and a molecular weight of 432.75 g/mol. Its IUPAC name is tert-butyl-diethyl-[1-(5-ethyl-2,3,4-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]silane.

Molecular Properties

Compound Nametert-butyl-diethyl-[1-(5-ethyl-2,3,4-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]silane
PubChem CID155637750
Molecular FormulaC29H42NSi+
Molecular Weight432.75 g/mol
Exact Mass432.31
IUPAC Nametert-butyl-diethyl-[1-(5-ethyl-2,3,4-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]silane
SMILESCCc1cc(-c2c3ccc([Si](CC)(CC)C(C)(C)C)cc3cc[n+]2C)c(C)c(C)c1C
InChIInChI=1S/C29H42NSi/c1-11-23-19-27(22(6)20(4)21(23)5)28-26-15-14-25(18-24(26)16-17-30(28)10)31(12-2,13-3)29(7,8)9/h14-19H,11-13H2,1-10H3/q+1
InChIKeyJZWYUQVMGWKVRJ-UHFFFAOYSA-N
XLogP7.31
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.75
LogP ≤ 57.31
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 tert-butyl-diethyl-[1-(5-ethyl-2,3,4-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]silane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-diethylsilane
CID 155637945
tert-butyl-[1-(5-cyclopentyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-diethylsilane
CID 155638086
tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-diethylsilane;tert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethylsilane;ditert-butyl-[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-methylsilane;[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane
CID 162164921
2,3,6-trimethyl-4-(2-methyl-6-triethylsilylisoquinolin-2-ium-1-yl)benzonitrile
CID 155638177
[1-(5-tert-butyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(5-tert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane;[1-(3,5-ditert-butyl-2-methylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triethylsilane
CID 159231593
1-(3,5-diethyl-2-methylphenyl)-2-methyl-6-propan-2-ylisoquinolin-2-ium
CID 155638897
4-[6-[tert-butyl(dimethyl)silyl]-2-methylisoquinolin-2-ium-1-yl]-2,3,6-trimethylbenzonitrile
CID 155638004
diethyl-[2-methyl-1-[2-methyl-3,5-di(propan-2-yl)phenyl]isoquinolin-2-ium-6-yl]-propan-2-ylsilane
CID 155638289
dimethyl-[2-methyl-1-[2,3,5-trimethyl-4-(trifluoromethyl)phenyl]isoquinolin-2-ium-6-yl]-propan-2-ylsilane
CID 176592494
[1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-(2,2-dimethylpropyl)-dimethylsilane
CID 155637876
triethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane
CID 166015601
ditert-butyl-[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-methylsilane
CID 155637581

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diethyl-[1-(5-ethyl-2,3,4-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]silane?
The IUPAC name of tert-butyl-diethyl-[1-(5-ethyl-2,3,4-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]silane (CID 155637750) is tert-butyl-diethyl-[1-(5-ethyl-2,3,4-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]silane.
What is the SMILES notation for tert-butyl-diethyl-[1-(5-ethyl-2,3,4-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]silane?
The canonical SMILES for tert-butyl-diethyl-[1-(5-ethyl-2,3,4-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]silane is CCc1cc(-c2c3ccc([Si](CC)(CC)C(C)(C)C)cc3cc[n+]2C)c(C)c(C)c1C.
What is the InChIKey of tert-butyl-diethyl-[1-(5-ethyl-2,3,4-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]silane?
The InChIKey is JZWYUQVMGWKVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42NSi/c1-11-23-19-27(22(6)20(4)21(23)5)28-26-15-14-25(18-24(26)16-17-30(28)10)31(12-2,13-3)29(7,8)9/h14-19H,11-13H2,1-10H3/q+1.
What are the key properties of tert-butyl-diethyl-[1-(5-ethyl-2,3,4-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]silane?
tert-butyl-diethyl-[1-(5-ethyl-2,3,4-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]silane has a molecular weight of 432.75 g/mol, XLogP of 7.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diethyl-[1-(5-ethyl-2,3,4-trimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]silane is sourced from PubChem (CID 155637750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).