1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane

C17H32N12O4 — CID 140930764

About 1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane

1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane (PubChem CID 140930764) has the molecular formula C17H32N12O4 and a molecular weight of 468.52 g/mol. Its IUPAC name is 1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane.

Molecular Properties

• Compound Name: 1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane
• PubChem CID: 140930764
• Molecular Formula: C17H32N12O4
• Molecular Weight: 468.52 g/mol
• Exact Mass: 468.27
• IUPAC Name: 1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane
• SMILES: [N-]=[N+]=NCCOCCC(CCOCCN=[N+]=[N-])(CCOCCN=[N+]=[N-])CCOCCN=[N+]=[N-]
• InChI: InChI=1S/C17H32N12O4/c18-26-22-5-13-30-9-1-17(2-10-31-14-6-23-27-19,3-11-32-15-7-24-28-20)4-12-33-16-8-25-29-21/h1-16H2
• InChIKey: AUJFWRXXNTVSSZ-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 231.96 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 24
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.52
LogP ≤ 5	4.84
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 1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane?

The IUPAC name of 1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane (CID 140930764) is 1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane.

What is the SMILES notation for 1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane?

The canonical SMILES for 1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane is [N-]=[N+]=NCCOCCC(CCOCCN=[N+]=[N-])(CCOCCN=[N+]=[N-])CCOCCN=[N+]=[N-].

What is the InChIKey of 1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane?

The InChIKey is AUJFWRXXNTVSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N12O4/c18-26-22-5-13-30-9-1-17(2-10-31-14-6-23-27-19,3-11-32-15-7-24-28-20)4-12-33-16-8-25-29-21/h1-16H2.

What are the key properties of 1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane?

1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane has a molecular weight of 468.52 g/mol, XLogP of 4.84, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane is sourced from PubChem (CID 140930764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).