1-[2-(2-azidoethoxy)ethoxy]-2,2-bis[2-(2-azidoethoxy)ethoxymethyl]-3-(2-propoxyethoxy)propane

C22H43N9O8 — CID 59660898

About 1-[2-(2-azidoethoxy)ethoxy]-2,2-bis[2-(2-azidoethoxy)ethoxymethyl]-3-(2-propoxyethoxy)propane

1-[2-(2-azidoethoxy)ethoxy]-2,2-bis[2-(2-azidoethoxy)ethoxymethyl]-3-(2-propoxyethoxy)propane (PubChem CID 59660898) has the molecular formula C22H43N9O8 and a molecular weight of 561.64 g/mol. Its IUPAC name is 1-[2-(2-azidoethoxy)ethoxy]-2,2-bis[2-(2-azidoethoxy)ethoxymethyl]-3-(2-propoxyethoxy)propane.

Molecular Properties

• Compound Name: 1-[2-(2-azidoethoxy)ethoxy]-2,2-bis[2-(2-azidoethoxy)ethoxymethyl]-3-(2-propoxyethoxy)propane
• PubChem CID: 59660898
• Molecular Formula: C22H43N9O8
• Molecular Weight: 561.64 g/mol
• Exact Mass: 561.32
• IUPAC Name: 1-[2-(2-azidoethoxy)ethoxy]-2,2-bis[2-(2-azidoethoxy)ethoxymethyl]-3-(2-propoxyethoxy)propane
• SMILES: CCCOCCOCC(COCCOCCN=[N+]=[N-])(COCCOCCN=[N+]=[N-])COCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C22H43N9O8/c1-2-6-32-10-14-36-18-22(19-37-15-11-33-7-3-26-29-23,20-38-16-12-34-8-4-27-30-24)21-39-17-13-35-9-5-28-31-25/h2-21H2,1H3
• InChIKey: OAUMTIQJPBQMTN-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 220.12 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 31
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.64
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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-[2-(2-azidoethoxy)ethoxy]-2,2-bis[2-(2-azidoethoxy)ethoxymethyl]-3-(2-propoxyethoxy)propane?

The IUPAC name of 1-[2-(2-azidoethoxy)ethoxy]-2,2-bis[2-(2-azidoethoxy)ethoxymethyl]-3-(2-propoxyethoxy)propane (CID 59660898) is 1-[2-(2-azidoethoxy)ethoxy]-2,2-bis[2-(2-azidoethoxy)ethoxymethyl]-3-(2-propoxyethoxy)propane.

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

The canonical SMILES for 1-[2-(2-azidoethoxy)ethoxy]-2,2-bis[2-(2-azidoethoxy)ethoxymethyl]-3-(2-propoxyethoxy)propane is CCCOCCOCC(COCCOCCN=[N+]=[N-])(COCCOCCN=[N+]=[N-])COCCOCCN=[N+]=[N-].

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

The InChIKey is OAUMTIQJPBQMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N9O8/c1-2-6-32-10-14-36-18-22(19-37-15-11-33-7-3-26-29-23,20-38-16-12-34-8-4-27-30-24)21-39-17-13-35-9-5-28-31-25/h2-21H2,1H3.

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

1-[2-(2-azidoethoxy)ethoxy]-2,2-bis[2-(2-azidoethoxy)ethoxymethyl]-3-(2-propoxyethoxy)propane has a molecular weight of 561.64 g/mol, XLogP of 3.45, 31 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-azidoethoxy)ethoxy]-2,2-bis[2-(2-azidoethoxy)ethoxymethyl]-3-(2-propoxyethoxy)propane is sourced from PubChem (CID 59660898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).