2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C16H33N3O8 — CID 10960238

IUPAC2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C16H33N3O8/c17-19-18-1-3-21-5-7-23-9-11-25-13-15-27-16-14-26-12-10-24-8-6-22-4-2-20/h20H,1-16H2
InChIKeyBUMODEBRFGPXRM-UHFFFAOYSA-N
MW395.45 g/mol
LogP0.41
Rot. Bonds23

About 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 10960238) has the molecular formula C16H33N3O8 and a molecular weight of 395.45 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID10960238
Molecular FormulaC16H33N3O8
Molecular Weight395.45 g/mol
Exact Mass395.23
IUPAC Name2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C16H33N3O8/c17-19-18-1-3-21-5-7-23-9-11-25-13-15-27-16-14-26-12-10-24-8-6-22-4-2-20/h20H,1-16H2
InChIKeyBUMODEBRFGPXRM-UHFFFAOYSA-N
XLogP0.41
TPSA133.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 10960238) is 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is [N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is BUMODEBRFGPXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O8/c17-19-18-1-3-21-5-7-23-9-11-25-13-15-27-16-14-26-12-10-24-8-6-22-4-2-20/h20H,1-16H2.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 395.45 g/mol, XLogP of 0.41, 23 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 10960238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).