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

C7H15N3O3 — CID 10375240

IUPAC1-azido-2-[2-(2-methoxyethoxy)ethoxy]ethane
SMILESCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C7H15N3O3/c1-11-4-5-13-7-6-12-3-2-9-10-8/h2-7H2,1H3
InChIKeyZSSKNHYYIBAWRX-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.98
Rot. Bonds9

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

1-azido-2-[2-(2-methoxyethoxy)ethoxy]ethane (PubChem CID 10375240) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-azido-2-[2-(2-methoxyethoxy)ethoxy]ethane.

Molecular Properties

Compound Name1-azido-2-[2-(2-methoxyethoxy)ethoxy]ethane
PubChem CID10375240
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name1-azido-2-[2-(2-methoxyethoxy)ethoxy]ethane
SMILESCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C7H15N3O3/c1-11-4-5-13-7-6-12-3-2-9-10-8/h2-7H2,1H3
InChIKeyZSSKNHYYIBAWRX-UHFFFAOYSA-N
XLogP0.98
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.98
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-methoxyethoxy)ethoxy]ethane?
The IUPAC name of 1-azido-2-[2-(2-methoxyethoxy)ethoxy]ethane (CID 10375240) is 1-azido-2-[2-(2-methoxyethoxy)ethoxy]ethane.
What is the SMILES notation for 1-azido-2-[2-(2-methoxyethoxy)ethoxy]ethane?
The canonical SMILES for 1-azido-2-[2-(2-methoxyethoxy)ethoxy]ethane is COCCOCCOCCN=[N+]=[N-].
What is the InChIKey of 1-azido-2-[2-(2-methoxyethoxy)ethoxy]ethane?
The InChIKey is ZSSKNHYYIBAWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-11-4-5-13-7-6-12-3-2-9-10-8/h2-7H2,1H3.
What are the key properties of 1-azido-2-[2-(2-methoxyethoxy)ethoxy]ethane?
1-azido-2-[2-(2-methoxyethoxy)ethoxy]ethane has a molecular weight of 189.21 g/mol, XLogP of 0.98, 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-methoxyethoxy)ethoxy]ethane is sourced from PubChem (CID 10375240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).