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

C8H17N3O3 — CID 15848698

IUPAC1-azido-2-[2-(2-ethoxyethoxy)ethoxy]ethane
SMILESCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C8H17N3O3/c1-2-12-5-6-14-8-7-13-4-3-10-11-9/h2-8H2,1H3
InChIKeyQCKRVSYHRAABCY-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.37
Rot. Bonds10

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

1-azido-2-[2-(2-ethoxyethoxy)ethoxy]ethane (PubChem CID 15848698) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-azido-2-[2-(2-ethoxyethoxy)ethoxy]ethane.

Molecular Properties

Compound Name1-azido-2-[2-(2-ethoxyethoxy)ethoxy]ethane
PubChem CID15848698
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name1-azido-2-[2-(2-ethoxyethoxy)ethoxy]ethane
SMILESCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C8H17N3O3/c1-2-12-5-6-14-8-7-13-4-3-10-11-9/h2-8H2,1H3
InChIKeyQCKRVSYHRAABCY-UHFFFAOYSA-N
XLogP1.37
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.37
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-ethoxyethoxy)ethoxy]ethane?
The IUPAC name of 1-azido-2-[2-(2-ethoxyethoxy)ethoxy]ethane (CID 15848698) is 1-azido-2-[2-(2-ethoxyethoxy)ethoxy]ethane.
What is the SMILES notation for 1-azido-2-[2-(2-ethoxyethoxy)ethoxy]ethane?
The canonical SMILES for 1-azido-2-[2-(2-ethoxyethoxy)ethoxy]ethane is CCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of 1-azido-2-[2-(2-ethoxyethoxy)ethoxy]ethane?
The InChIKey is QCKRVSYHRAABCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-2-12-5-6-14-8-7-13-4-3-10-11-9/h2-8H2,1H3.
What are the key properties of 1-azido-2-[2-(2-ethoxyethoxy)ethoxy]ethane?
1-azido-2-[2-(2-ethoxyethoxy)ethoxy]ethane has a molecular weight of 203.24 g/mol, XLogP of 1.37, 10 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-ethoxyethoxy)ethoxy]ethane is sourced from PubChem (CID 15848698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).