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

C6H12N6O2 — CID 10845705

IUPAC1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane
SMILES[N-]=[N+]=NCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C6H12N6O2/c7-11-9-1-3-13-5-6-14-4-2-10-12-8/h1-6H2
InChIKeyOHZGAFKSAANFAS-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.64
Rot. Bonds9

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

1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane (PubChem CID 10845705) has the molecular formula C6H12N6O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane.

Molecular Properties

Compound Name1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane
PubChem CID10845705
Molecular FormulaC6H12N6O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC Name1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane
SMILES[N-]=[N+]=NCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C6H12N6O2/c7-11-9-1-3-13-5-6-14-4-2-10-12-8/h1-6H2
InChIKeyOHZGAFKSAANFAS-UHFFFAOYSA-N
XLogP1.64
TPSA115.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-azidoethoxy)ethoxy]ethane?
The IUPAC name of 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane (CID 10845705) is 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane.
What is the SMILES notation for 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane?
The canonical SMILES for 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane is [N-]=[N+]=NCCOCCOCCN=[N+]=[N-].
What is the InChIKey of 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane?
The InChIKey is OHZGAFKSAANFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6O2/c7-11-9-1-3-13-5-6-14-4-2-10-12-8/h1-6H2.
What are the key properties of 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane?
1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane has a molecular weight of 200.20 g/mol, XLogP of 1.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane is sourced from PubChem (CID 10845705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).