2-(2-azidoethoxy)ethoxy-tert-butyl-diphenylsilane

C20H27N3O2Si — CID 150053470

IUPAC2-(2-azidoethoxy)ethoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCOCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N3O2Si/c1-20(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-17-16-24-15-14-22-23-21/h4-13H,14-17H2,1-3H3
InChIKeyDLUFAWROVPIZHN-UHFFFAOYSA-N
MW369.54 g/mol
LogP3.89
Rot. Bonds9

About 2-(2-azidoethoxy)ethoxy-tert-butyl-diphenylsilane

2-(2-azidoethoxy)ethoxy-tert-butyl-diphenylsilane (PubChem CID 150053470) has the molecular formula C20H27N3O2Si and a molecular weight of 369.54 g/mol. Its IUPAC name is 2-(2-azidoethoxy)ethoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name2-(2-azidoethoxy)ethoxy-tert-butyl-diphenylsilane
PubChem CID150053470
Molecular FormulaC20H27N3O2Si
Molecular Weight369.54 g/mol
Exact Mass369.19
IUPAC Name2-(2-azidoethoxy)ethoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCOCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N3O2Si/c1-20(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-17-16-24-15-14-22-23-21/h4-13H,14-17H2,1-3H3
InChIKeyDLUFAWROVPIZHN-UHFFFAOYSA-N
XLogP3.89
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethoxy)ethoxy-tert-butyl-diphenylsilane?
The IUPAC name of 2-(2-azidoethoxy)ethoxy-tert-butyl-diphenylsilane (CID 150053470) is 2-(2-azidoethoxy)ethoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 2-(2-azidoethoxy)ethoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 2-(2-azidoethoxy)ethoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCCOCCN=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-azidoethoxy)ethoxy-tert-butyl-diphenylsilane?
The InChIKey is DLUFAWROVPIZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2Si/c1-20(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-17-16-24-15-14-22-23-21/h4-13H,14-17H2,1-3H3.
What are the key properties of 2-(2-azidoethoxy)ethoxy-tert-butyl-diphenylsilane?
2-(2-azidoethoxy)ethoxy-tert-butyl-diphenylsilane has a molecular weight of 369.54 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethoxy)ethoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 150053470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).