tert-butyl-dimethyl-[2-(2H-triazol-4-yl)ethoxy]silane

C10H21N3OSi — CID 69195671

IUPACtert-butyl-dimethyl-[2-(2H-triazol-4-yl)ethoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCc1cn[nH]n1
InChIInChI=1S/C10H21N3OSi/c1-10(2,3)15(4,5)14-7-6-9-8-11-13-12-9/h8H,6-7H2,1-5H3,(H,11,12,13)
InChIKeyILMNPFSZDKWLHH-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.37
Rot. Bonds4

About tert-butyl-dimethyl-[2-(2H-triazol-4-yl)ethoxy]silane

tert-butyl-dimethyl-[2-(2H-triazol-4-yl)ethoxy]silane (PubChem CID 69195671) has the molecular formula C10H21N3OSi and a molecular weight of 227.38 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-(2H-triazol-4-yl)ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-(2H-triazol-4-yl)ethoxy]silane
PubChem CID69195671
Molecular FormulaC10H21N3OSi
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Nametert-butyl-dimethyl-[2-(2H-triazol-4-yl)ethoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCc1cn[nH]n1
InChIInChI=1S/C10H21N3OSi/c1-10(2,3)15(4,5)14-7-6-9-8-11-13-12-9/h8H,6-7H2,1-5H3,(H,11,12,13)
InChIKeyILMNPFSZDKWLHH-UHFFFAOYSA-N
XLogP2.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
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-[2-(2H-triazol-4-yl)ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-(2H-triazol-4-yl)ethoxy]silane (CID 69195671) is tert-butyl-dimethyl-[2-(2H-triazol-4-yl)ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-(2H-triazol-4-yl)ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-(2H-triazol-4-yl)ethoxy]silane is CC(C)(C)[Si](C)(C)OCCc1cn[nH]n1.
What is the InChIKey of tert-butyl-dimethyl-[2-(2H-triazol-4-yl)ethoxy]silane?
The InChIKey is ILMNPFSZDKWLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OSi/c1-10(2,3)15(4,5)14-7-6-9-8-11-13-12-9/h8H,6-7H2,1-5H3,(H,11,12,13).
What are the key properties of tert-butyl-dimethyl-[2-(2H-triazol-4-yl)ethoxy]silane?
tert-butyl-dimethyl-[2-(2H-triazol-4-yl)ethoxy]silane has a molecular weight of 227.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-(2H-triazol-4-yl)ethoxy]silane is sourced from PubChem (CID 69195671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).