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

C8H16IN3O3 — CID 71551921

IUPAC1-azido-2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethane
SMILES[N-]=[N+]=NCCOCCOCCOCCI
InChIInChI=1S/C8H16IN3O3/c9-1-3-13-5-7-15-8-6-14-4-2-11-12-10/h1-8H2
InChIKeyUFRYEFKWTSOFBV-UHFFFAOYSA-N
MW329.14 g/mol
LogP1.78
Rot. Bonds11

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

1-azido-2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethane (PubChem CID 71551921) has the molecular formula C8H16IN3O3 and a molecular weight of 329.14 g/mol. Its IUPAC name is 1-azido-2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethane.

Molecular Properties

Compound Name1-azido-2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethane
PubChem CID71551921
Molecular FormulaC8H16IN3O3
Molecular Weight329.14 g/mol
Exact Mass329.02
IUPAC Name1-azido-2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethane
SMILES[N-]=[N+]=NCCOCCOCCOCCI
InChIInChI=1S/C8H16IN3O3/c9-1-3-13-5-7-15-8-6-14-4-2-11-12-10/h1-8H2
InChIKeyUFRYEFKWTSOFBV-UHFFFAOYSA-N
XLogP1.78
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 51.78
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': '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-(2-iodoethoxy)ethoxy]ethoxy]ethane?
The IUPAC name of 1-azido-2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethane (CID 71551921) is 1-azido-2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethane.
What is the SMILES notation for 1-azido-2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethane?
The canonical SMILES for 1-azido-2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethane is [N-]=[N+]=NCCOCCOCCOCCI.
What is the InChIKey of 1-azido-2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethane?
The InChIKey is UFRYEFKWTSOFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16IN3O3/c9-1-3-13-5-7-15-8-6-14-4-2-11-12-10/h1-8H2.
What are the key properties of 1-azido-2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethane?
1-azido-2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethane has a molecular weight of 329.14 g/mol, XLogP of 1.78, 11 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-(2-iodoethoxy)ethoxy]ethoxy]ethane is sourced from PubChem (CID 71551921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).