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

C9H19N3O4 — CID 51340962

IUPAC1-azido-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
SMILESCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C9H19N3O4/c1-13-4-5-15-8-9-16-7-6-14-3-2-11-12-10/h2-9H2,1H3
InChIKeyFFOZZVDSANUDAE-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.99
Rot. Bonds12

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

1-azido-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane (PubChem CID 51340962) has the molecular formula C9H19N3O4 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-azido-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane.

Molecular Properties

Compound Name1-azido-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
PubChem CID51340962
Molecular FormulaC9H19N3O4
Molecular Weight233.27 g/mol
Exact Mass233.14
IUPAC Name1-azido-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
SMILESCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C9H19N3O4/c1-13-4-5-15-8-9-16-7-6-14-3-2-11-12-10/h2-9H2,1H3
InChIKeyFFOZZVDSANUDAE-UHFFFAOYSA-N
XLogP0.99
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.99
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-methoxyethoxy)ethoxy]ethoxy]ethane?
The IUPAC name of 1-azido-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane (CID 51340962) is 1-azido-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane.
What is the SMILES notation for 1-azido-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane?
The canonical SMILES for 1-azido-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane is COCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of 1-azido-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane?
The InChIKey is FFOZZVDSANUDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4/c1-13-4-5-15-8-9-16-7-6-14-3-2-11-12-10/h2-9H2,1H3.
What are the key properties of 1-azido-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane?
1-azido-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane has a molecular weight of 233.27 g/mol, XLogP of 0.99, 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-methoxyethoxy)ethoxy]ethoxy]ethane is sourced from PubChem (CID 51340962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).