3-[2-[2-[2-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]prop-1-ynyl-tri(propan-2-yl)silane

C27H50N6O6Si — CID 101491540

About 3-[2-[2-[2-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]prop-1-ynyl-tri(propan-2-yl)silane

3-[2-[2-[2-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]prop-1-ynyl-tri(propan-2-yl)silane (PubChem CID 101491540) has the molecular formula C27H50N6O6Si and a molecular weight of 582.82 g/mol. Its IUPAC name is 3-[2-[2-[2-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]prop-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: 3-[2-[2-[2-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]prop-1-ynyl-tri(propan-2-yl)silane
• PubChem CID: 101491540
• Molecular Formula: C27H50N6O6Si
• Molecular Weight: 582.82 g/mol
• Exact Mass: 582.36
• IUPAC Name: 3-[2-[2-[2-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]prop-1-ynyl-tri(propan-2-yl)silane
• SMILES: CC(C)[Si](C#CCOCCOCCOCCn1cc(COCCOCCOCCN=[N+]=[N-])nn1)(C(C)C)C(C)C
• InChI: InChI=1S/C27H50N6O6Si/c1-24(2)40(25(3)4,26(5)6)21-7-10-34-13-16-37-18-15-36-12-9-33-22-27(30-32-33)23-39-20-19-38-17-14-35-11-8-29-31-28/h22,24-26H,8-20,23H2,1-6H3
• InChIKey: XTBOLYBQROSBNW-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 134.85 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.82
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]prop-1-ynyl-tri(propan-2-yl)silane?

The IUPAC name of 3-[2-[2-[2-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]prop-1-ynyl-tri(propan-2-yl)silane (CID 101491540) is 3-[2-[2-[2-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]prop-1-ynyl-tri(propan-2-yl)silane.

What is the SMILES notation for 3-[2-[2-[2-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]prop-1-ynyl-tri(propan-2-yl)silane?

The canonical SMILES for 3-[2-[2-[2-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]prop-1-ynyl-tri(propan-2-yl)silane is CC(C)[Si](C#CCOCCOCCOCCn1cc(COCCOCCOCCN=[N+]=[N-])nn1)(C(C)C)C(C)C.

What is the InChIKey of 3-[2-[2-[2-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]prop-1-ynyl-tri(propan-2-yl)silane?

The InChIKey is XTBOLYBQROSBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50N6O6Si/c1-24(2)40(25(3)4,26(5)6)21-7-10-34-13-16-37-18-15-36-12-9-33-22-27(30-32-33)23-39-20-19-38-17-14-35-11-8-29-31-28/h22,24-26H,8-20,23H2,1-6H3.

What are the key properties of 3-[2-[2-[2-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]prop-1-ynyl-tri(propan-2-yl)silane?

3-[2-[2-[2-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]prop-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 582.82 g/mol, XLogP of 4.41, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]prop-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 101491540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).