tert-butyl-dimethyl-(4-pyrazol-1-ylphenoxy)silane

C15H22N2OSi — CID 122203708

IUPACtert-butyl-dimethyl-(4-pyrazol-1-ylphenoxy)silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H22N2OSi/c1-15(2,3)19(4,5)18-14-9-7-13(8-10-14)17-12-6-11-16-17/h6-12H,1-5H3
InChIKeySWTSEUXJZQEDIK-UHFFFAOYSA-N
MW274.44 g/mol
LogP4.26
Rot. Bonds3

About tert-butyl-dimethyl-(4-pyrazol-1-ylphenoxy)silane

tert-butyl-dimethyl-(4-pyrazol-1-ylphenoxy)silane (PubChem CID 122203708) has the molecular formula C15H22N2OSi and a molecular weight of 274.44 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-pyrazol-1-ylphenoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-pyrazol-1-ylphenoxy)silane
PubChem CID122203708
Molecular FormulaC15H22N2OSi
Molecular Weight274.44 g/mol
Exact Mass274.15
IUPAC Nametert-butyl-dimethyl-(4-pyrazol-1-ylphenoxy)silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H22N2OSi/c1-15(2,3)19(4,5)18-14-9-7-13(8-10-14)17-12-6-11-16-17/h6-12H,1-5H3
InChIKeySWTSEUXJZQEDIK-UHFFFAOYSA-N
XLogP4.26
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethyl-(4-pyrazol-1-ylphenoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(4-pyrazol-1-ylphenoxy)silane (CID 122203708) is tert-butyl-dimethyl-(4-pyrazol-1-ylphenoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(4-pyrazol-1-ylphenoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(4-pyrazol-1-ylphenoxy)silane is CC(C)(C)[Si](C)(C)Oc1ccc(-n2cccn2)cc1.
What is the InChIKey of tert-butyl-dimethyl-(4-pyrazol-1-ylphenoxy)silane?
The InChIKey is SWTSEUXJZQEDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OSi/c1-15(2,3)19(4,5)18-14-9-7-13(8-10-14)17-12-6-11-16-17/h6-12H,1-5H3.
What are the key properties of tert-butyl-dimethyl-(4-pyrazol-1-ylphenoxy)silane?
tert-butyl-dimethyl-(4-pyrazol-1-ylphenoxy)silane has a molecular weight of 274.44 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-pyrazol-1-ylphenoxy)silane is sourced from PubChem (CID 122203708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).