tert-butyl-[3-(cyclohexen-1-yl)-1-quinoxalin-2-ylprop-2-ynoxy]-dimethylsilane

C23H30N2OSi — CID 102575378

IUPACtert-butyl-[3-(cyclohexen-1-yl)-1-quinoxalin-2-ylprop-2-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(C#CC1=CCCCC1)c1cnc2ccccc2n1
InChIInChI=1S/C23H30N2OSi/c1-23(2,3)27(4,5)26-22(16-15-18-11-7-6-8-12-18)21-17-24-19-13-9-10-14-20(19)25-21/h9-11,13-14,17,22H,6-8,12H2,1-5H3
InChIKeyQBQVQLHHIGSQOJ-UHFFFAOYSA-N
MW378.59 g/mol
LogP6.20
Rot. Bonds3

About tert-butyl-[3-(cyclohexen-1-yl)-1-quinoxalin-2-ylprop-2-ynoxy]-dimethylsilane

tert-butyl-[3-(cyclohexen-1-yl)-1-quinoxalin-2-ylprop-2-ynoxy]-dimethylsilane (PubChem CID 102575378) has the molecular formula C23H30N2OSi and a molecular weight of 378.59 g/mol. Its IUPAC name is tert-butyl-[3-(cyclohexen-1-yl)-1-quinoxalin-2-ylprop-2-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(cyclohexen-1-yl)-1-quinoxalin-2-ylprop-2-ynoxy]-dimethylsilane
PubChem CID102575378
Molecular FormulaC23H30N2OSi
Molecular Weight378.59 g/mol
Exact Mass378.21
IUPAC Nametert-butyl-[3-(cyclohexen-1-yl)-1-quinoxalin-2-ylprop-2-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(C#CC1=CCCCC1)c1cnc2ccccc2n1
InChIInChI=1S/C23H30N2OSi/c1-23(2,3)27(4,5)26-22(16-15-18-11-7-6-8-12-18)21-17-24-19-13-9-10-14-20(19)25-21/h9-11,13-14,17,22H,6-8,12H2,1-5H3
InChIKeyQBQVQLHHIGSQOJ-UHFFFAOYSA-N
XLogP6.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.59
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(cyclohexen-1-yl)-1-quinoxalin-2-ylprop-2-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(cyclohexen-1-yl)-1-quinoxalin-2-ylprop-2-ynoxy]-dimethylsilane (CID 102575378) is tert-butyl-[3-(cyclohexen-1-yl)-1-quinoxalin-2-ylprop-2-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(cyclohexen-1-yl)-1-quinoxalin-2-ylprop-2-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(cyclohexen-1-yl)-1-quinoxalin-2-ylprop-2-ynoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC(C#CC1=CCCCC1)c1cnc2ccccc2n1.
What is the InChIKey of tert-butyl-[3-(cyclohexen-1-yl)-1-quinoxalin-2-ylprop-2-ynoxy]-dimethylsilane?
The InChIKey is QBQVQLHHIGSQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2OSi/c1-23(2,3)27(4,5)26-22(16-15-18-11-7-6-8-12-18)21-17-24-19-13-9-10-14-20(19)25-21/h9-11,13-14,17,22H,6-8,12H2,1-5H3.
What are the key properties of tert-butyl-[3-(cyclohexen-1-yl)-1-quinoxalin-2-ylprop-2-ynoxy]-dimethylsilane?
tert-butyl-[3-(cyclohexen-1-yl)-1-quinoxalin-2-ylprop-2-ynoxy]-dimethylsilane has a molecular weight of 378.59 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(cyclohexen-1-yl)-1-quinoxalin-2-ylprop-2-ynoxy]-dimethylsilane is sourced from PubChem (CID 102575378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).