1-azido-2-ethoxy-1-methoxyethane

C5H11N3O2 — CID 91621081

IUPAC1-azido-2-ethoxy-1-methoxyethane
SMILESCCOCC(N=[N+]=[N-])OC
InChIInChI=1S/C5H11N3O2/c1-3-10-4-5(9-2)7-8-6/h5H,3-4H2,1-2H3
InChIKeyPHMWJDNVPGHYAD-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.31
Rot. Bonds5

About 1-azido-2-ethoxy-1-methoxyethane

1-azido-2-ethoxy-1-methoxyethane (PubChem CID 91621081) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 1-azido-2-ethoxy-1-methoxyethane.

Molecular Properties

Compound Name1-azido-2-ethoxy-1-methoxyethane
PubChem CID91621081
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name1-azido-2-ethoxy-1-methoxyethane
SMILESCCOCC(N=[N+]=[N-])OC
InChIInChI=1S/C5H11N3O2/c1-3-10-4-5(9-2)7-8-6/h5H,3-4H2,1-2H3
InChIKeyPHMWJDNVPGHYAD-UHFFFAOYSA-N
XLogP1.31
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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-ethoxy-1-methoxyethane?
The IUPAC name of 1-azido-2-ethoxy-1-methoxyethane (CID 91621081) is 1-azido-2-ethoxy-1-methoxyethane.
What is the SMILES notation for 1-azido-2-ethoxy-1-methoxyethane?
The canonical SMILES for 1-azido-2-ethoxy-1-methoxyethane is CCOCC(N=[N+]=[N-])OC.
What is the InChIKey of 1-azido-2-ethoxy-1-methoxyethane?
The InChIKey is PHMWJDNVPGHYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-3-10-4-5(9-2)7-8-6/h5H,3-4H2,1-2H3.
What are the key properties of 1-azido-2-ethoxy-1-methoxyethane?
1-azido-2-ethoxy-1-methoxyethane has a molecular weight of 145.16 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-ethoxy-1-methoxyethane is sourced from PubChem (CID 91621081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).