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

C16H32IN3O7 — CID 71551922

IUPAC1-azido-2-[2-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCI
InChIInChI=1S/C16H32IN3O7/c17-1-3-21-5-7-23-9-11-25-13-15-27-16-14-26-12-10-24-8-6-22-4-2-19-20-18/h1-16H2
InChIKeyMQWQXNZWTUYIMX-UHFFFAOYSA-N
MW505.35 g/mol
LogP1.85
Rot. Bonds23

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

1-azido-2-[2-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane (PubChem CID 71551922) has the molecular formula C16H32IN3O7 and a molecular weight of 505.35 g/mol. Its IUPAC name is 1-azido-2-[2-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane.

Molecular Properties

Compound Name1-azido-2-[2-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
PubChem CID71551922
Molecular FormulaC16H32IN3O7
Molecular Weight505.35 g/mol
Exact Mass505.13
IUPAC Name1-azido-2-[2-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCI
InChIInChI=1S/C16H32IN3O7/c17-1-3-21-5-7-23-9-11-25-13-15-27-16-14-26-12-10-24-8-6-22-4-2-19-20-18/h1-16H2
InChIKeyMQWQXNZWTUYIMX-UHFFFAOYSA-N
XLogP1.85
TPSA113.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
The IUPAC name of 1-azido-2-[2-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane (CID 71551922) is 1-azido-2-[2-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane.
What is the SMILES notation for 1-azido-2-[2-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
The canonical SMILES for 1-azido-2-[2-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane is [N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCI.
What is the InChIKey of 1-azido-2-[2-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
The InChIKey is MQWQXNZWTUYIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32IN3O7/c17-1-3-21-5-7-23-9-11-25-13-15-27-16-14-26-12-10-24-8-6-22-4-2-19-20-18/h1-16H2.
What are the key properties of 1-azido-2-[2-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
1-azido-2-[2-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane has a molecular weight of 505.35 g/mol, XLogP of 1.85, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-[2-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane is sourced from PubChem (CID 71551922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).