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

C13H26N6O6 — CID 165387139

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

2,2-bis[2-(2-azidoethoxy)ethoxymethyl]propane-1,3-diol (PubChem CID 165387139) has the molecular formula C13H26N6O6 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2,2-bis[2-(2-azidoethoxy)ethoxymethyl]propane-1,3-diol.

Molecular Properties

• Compound Name: 2,2-bis[2-(2-azidoethoxy)ethoxymethyl]propane-1,3-diol
• PubChem CID: 165387139
• Molecular Formula: C13H26N6O6
• Molecular Weight: 362.39 g/mol
• Exact Mass: 362.19
• IUPAC Name: 2,2-bis[2-(2-azidoethoxy)ethoxymethyl]propane-1,3-diol
• SMILES: [N-]=[N+]=NCCOCCOCC(CO)(CO)COCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C13H26N6O6/c14-18-16-1-3-22-5-7-24-11-13(9-20,10-21)12-25-8-6-23-4-2-17-19-15/h20-21H,1-12H2
• InChIKey: PAGBVUWBBHABOC-UHFFFAOYSA-N
• XLogP: 0.64
• TPSA: 174.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.39
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	2
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 2,2-bis[2-(2-azidoethoxy)ethoxymethyl]propane-1,3-diol?

The IUPAC name of 2,2-bis[2-(2-azidoethoxy)ethoxymethyl]propane-1,3-diol (CID 165387139) is 2,2-bis[2-(2-azidoethoxy)ethoxymethyl]propane-1,3-diol.

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

The canonical SMILES for 2,2-bis[2-(2-azidoethoxy)ethoxymethyl]propane-1,3-diol is [N-]=[N+]=NCCOCCOCC(CO)(CO)COCCOCCN=[N+]=[N-].

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

The InChIKey is PAGBVUWBBHABOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O6/c14-18-16-1-3-22-5-7-24-11-13(9-20,10-21)12-25-8-6-23-4-2-17-19-15/h20-21H,1-12H2.

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

2,2-bis[2-(2-azidoethoxy)ethoxymethyl]propane-1,3-diol has a molecular weight of 362.39 g/mol, XLogP of 0.64, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-bis[2-(2-azidoethoxy)ethoxymethyl]propane-1,3-diol is sourced from PubChem (CID 165387139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).