1,3-bis[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-methylpropane

C16H32N6O6 — CID 175936797

About 1,3-bis[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-methylpropane

1,3-bis[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-methylpropane (PubChem CID 175936797) has the molecular formula C16H32N6O6 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1,3-bis[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-methylpropane.

Molecular Properties

• Compound Name: 1,3-bis[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-methylpropane
• PubChem CID: 175936797
• Molecular Formula: C16H32N6O6
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.24
• IUPAC Name: 1,3-bis[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-methylpropane
• SMILES: CC(COCCOCCOCCN=[N+]=[N-])COCCOCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C16H32N6O6/c1-16(14-27-12-10-25-8-6-23-4-2-19-21-17)15-28-13-11-26-9-7-24-5-3-20-22-18/h16H,2-15H2,1H3
• InChIKey: BWDJLKJNYLIVIZ-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 152.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-methylpropane?

The IUPAC name of 1,3-bis[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-methylpropane (CID 175936797) is 1,3-bis[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-methylpropane.

What is the SMILES notation for 1,3-bis[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-methylpropane?

The canonical SMILES for 1,3-bis[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-methylpropane is CC(COCCOCCOCCN=[N+]=[N-])COCCOCCOCCN=[N+]=[N-].

What is the InChIKey of 1,3-bis[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-methylpropane?

The InChIKey is BWDJLKJNYLIVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N6O6/c1-16(14-27-12-10-25-8-6-23-4-2-19-21-17)15-28-13-11-26-9-7-24-5-3-20-22-18/h16H,2-15H2,1H3.

What are the key properties of 1,3-bis[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-methylpropane?

1,3-bis[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-methylpropane has a molecular weight of 404.47 g/mol, XLogP of 2.34, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-methylpropane is sourced from PubChem (CID 175936797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).