4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzenediazonium tetrafluoroborate

C13H19BF4N2O3 — CID 87207781

About 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzenediazonium tetrafluoroborate

4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzenediazonium tetrafluoroborate (PubChem CID 87207781) has the molecular formula C13H19BF4N2O3 and a molecular weight of 338.11 g/mol. Its IUPAC name is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzenediazonium tetrafluoroborate.

Molecular Properties

• Compound Name: 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzenediazonium tetrafluoroborate
• PubChem CID: 87207781
• Molecular Formula: C13H19BF4N2O3
• Molecular Weight: 338.11 g/mol
• Exact Mass: 338.14
• IUPAC Name: 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzenediazonium tetrafluoroborate
• SMILES: COCCOCCOCCc1ccc([N+]#N)cc1.F[B-](F)(F)F
• InChI: InChI=1S/C13H19N2O3.BF4/c1-16-8-9-18-11-10-17-7-6-12-2-4-13(15-14)5-3-12;2-1(3,4)5/h2-5H,6-11H2,1H3;/q+1;-1
• InChIKey: NEVPSWBJSSHKMY-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.11
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzenediazonium tetrafluoroborate?

The IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzenediazonium tetrafluoroborate (CID 87207781) is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzenediazonium tetrafluoroborate.

What is the SMILES notation for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzenediazonium tetrafluoroborate?

The canonical SMILES for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzenediazonium tetrafluoroborate is COCCOCCOCCc1ccc([N+]#N)cc1.F[B-](F)(F)F.

What is the InChIKey of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzenediazonium tetrafluoroborate?

The InChIKey is NEVPSWBJSSHKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N2O3.BF4/c1-16-8-9-18-11-10-17-7-6-12-2-4-13(15-14)5-3-12;2-1(3,4)5/h2-5H,6-11H2,1H3;/q+1;-1.

What are the key properties of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzenediazonium tetrafluoroborate?

4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzenediazonium tetrafluoroborate has a molecular weight of 338.11 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzenediazonium tetrafluoroborate is sourced from PubChem (CID 87207781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).