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

C6H12IN3O2 — CID 53381408

IUPAC1-azido-2-[2-(2-iodoethoxy)ethoxy]ethane
SMILES[N-]=[N+]=NCCOCCOCCI
InChIInChI=1S/C6H12IN3O2/c7-1-3-11-5-6-12-4-2-9-10-8/h1-6H2
InChIKeyGIYWRRYDYUSRGG-UHFFFAOYSA-N
MW285.09 g/mol
LogP1.76
Rot. Bonds8

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

1-azido-2-[2-(2-iodoethoxy)ethoxy]ethane (PubChem CID 53381408) has the molecular formula C6H12IN3O2 and a molecular weight of 285.09 g/mol. Its IUPAC name is 1-azido-2-[2-(2-iodoethoxy)ethoxy]ethane.

Molecular Properties

Compound Name1-azido-2-[2-(2-iodoethoxy)ethoxy]ethane
PubChem CID53381408
Molecular FormulaC6H12IN3O2
Molecular Weight285.09 g/mol
Exact Mass285.00
IUPAC Name1-azido-2-[2-(2-iodoethoxy)ethoxy]ethane
SMILES[N-]=[N+]=NCCOCCOCCI
InChIInChI=1S/C6H12IN3O2/c7-1-3-11-5-6-12-4-2-9-10-8/h1-6H2
InChIKeyGIYWRRYDYUSRGG-UHFFFAOYSA-N
XLogP1.76
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-azido-2-[2-(2-iodoethoxy)ethoxy]ethane?
The IUPAC name of 1-azido-2-[2-(2-iodoethoxy)ethoxy]ethane (CID 53381408) is 1-azido-2-[2-(2-iodoethoxy)ethoxy]ethane.
What is the SMILES notation for 1-azido-2-[2-(2-iodoethoxy)ethoxy]ethane?
The canonical SMILES for 1-azido-2-[2-(2-iodoethoxy)ethoxy]ethane is [N-]=[N+]=NCCOCCOCCI.
What is the InChIKey of 1-azido-2-[2-(2-iodoethoxy)ethoxy]ethane?
The InChIKey is GIYWRRYDYUSRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12IN3O2/c7-1-3-11-5-6-12-4-2-9-10-8/h1-6H2.
What are the key properties of 1-azido-2-[2-(2-iodoethoxy)ethoxy]ethane?
1-azido-2-[2-(2-iodoethoxy)ethoxy]ethane has a molecular weight of 285.09 g/mol, XLogP of 1.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-[2-(2-iodoethoxy)ethoxy]ethane is sourced from PubChem (CID 53381408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).