1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane

C18H36N6O8 — CID 58177644

IUPAC1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C18H36N6O8/c19-23-21-1-3-25-5-7-27-9-11-29-13-15-31-17-18-32-16-14-30-12-10-28-8-6-26-4-2-22-24-20/h1-18H2
InChIKeyYLSWPTOPFFQZHP-UHFFFAOYSA-N
MW464.52 g/mol
LogP1.74
Rot. Bonds27

About 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane

1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane (PubChem CID 58177644) has the molecular formula C18H36N6O8 and a molecular weight of 464.52 g/mol. Its IUPAC name is 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane.

Molecular Properties

Compound Name1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
PubChem CID58177644
Molecular FormulaC18H36N6O8
Molecular Weight464.52 g/mol
Exact Mass464.26
IUPAC Name1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C18H36N6O8/c19-23-21-1-3-25-5-7-27-9-11-29-13-15-31-17-18-32-16-14-30-12-10-28-8-6-26-4-2-22-24-20/h1-18H2
InChIKeyYLSWPTOPFFQZHP-UHFFFAOYSA-N
XLogP1.74
TPSA171.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
The IUPAC name of 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane (CID 58177644) is 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane.
What is the SMILES notation for 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
The canonical SMILES for 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane is [N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
The InChIKey is YLSWPTOPFFQZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N6O8/c19-23-21-1-3-25-5-7-27-9-11-29-13-15-31-17-18-32-16-14-30-12-10-28-8-6-26-4-2-22-24-20/h1-18H2.
What are the key properties of 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane has a molecular weight of 464.52 g/mol, XLogP of 1.74, 27 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane is sourced from PubChem (CID 58177644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).