tert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane

C17H25NOSi — CID 58625508

IUPACtert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane
SMILESCc1nc2ccccc2c(O[Si](C)(C)C(C)(C)C)c1C
InChIInChI=1S/C17H25NOSi/c1-12-13(2)18-15-11-9-8-10-14(15)16(12)19-20(6,7)17(3,4)5/h8-11H,1-7H3
InChIKeyBINUMFXCSJLWKT-UHFFFAOYSA-N
MW287.48 g/mol
LogP5.24
Rot. Bonds2

About tert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane

tert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane (PubChem CID 58625508) has the molecular formula C17H25NOSi and a molecular weight of 287.48 g/mol. Its IUPAC name is tert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane
PubChem CID58625508
Molecular FormulaC17H25NOSi
Molecular Weight287.48 g/mol
Exact Mass287.17
IUPAC Nametert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane
SMILESCc1nc2ccccc2c(O[Si](C)(C)C(C)(C)C)c1C
InChIInChI=1S/C17H25NOSi/c1-12-13(2)18-15-11-9-8-10-14(15)16(12)19-20(6,7)17(3,4)5/h8-11H,1-7H3
InChIKeyBINUMFXCSJLWKT-UHFFFAOYSA-N
XLogP5.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.48
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane (CID 58625508) is tert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane is Cc1nc2ccccc2c(O[Si](C)(C)C(C)(C)C)c1C.
What is the InChIKey of tert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane?
The InChIKey is BINUMFXCSJLWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOSi/c1-12-13(2)18-15-11-9-8-10-14(15)16(12)19-20(6,7)17(3,4)5/h8-11H,1-7H3.
What are the key properties of tert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane?
tert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane has a molecular weight of 287.48 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane is sourced from PubChem (CID 58625508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).