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

C8H16N6O3 — CID 4157492

IUPAC1-azido-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethane
SMILES[N-]=[N+]=NCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C8H16N6O3/c9-13-11-1-3-15-5-7-17-8-6-16-4-2-12-14-10/h1-8H2
InChIKeySFMMXKLNFMIUCH-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.66
Rot. Bonds12

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

1-azido-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethane (PubChem CID 4157492) has the molecular formula C8H16N6O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-azido-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethane.

Molecular Properties

Compound Name1-azido-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethane
PubChem CID4157492
Molecular FormulaC8H16N6O3
Molecular Weight244.25 g/mol
Exact Mass244.13
IUPAC Name1-azido-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethane
SMILES[N-]=[N+]=NCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C8H16N6O3/c9-13-11-1-3-15-5-7-17-8-6-16-4-2-12-14-10/h1-8H2
InChIKeySFMMXKLNFMIUCH-UHFFFAOYSA-N
XLogP1.66
TPSA125.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-azidoethoxy)ethoxy]ethoxy]ethane?
The IUPAC name of 1-azido-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethane (CID 4157492) is 1-azido-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethane.
What is the SMILES notation for 1-azido-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethane?
The canonical SMILES for 1-azido-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethane is [N-]=[N+]=NCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of 1-azido-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethane?
The InChIKey is SFMMXKLNFMIUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O3/c9-13-11-1-3-15-5-7-17-8-6-16-4-2-12-14-10/h1-8H2.
What are the key properties of 1-azido-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethane?
1-azido-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethane has a molecular weight of 244.25 g/mol, XLogP of 1.66, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethane is sourced from PubChem (CID 4157492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).