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

C16H33N3O7 — CID 90929442

IUPAC1-azido-2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
SMILESCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C16H33N3O7/c1-2-20-5-6-22-9-10-24-13-14-26-16-15-25-12-11-23-8-7-21-4-3-18-19-17/h2-16H2,1H3
InChIKeyVCXRAIDKJSUXDS-UHFFFAOYSA-N
MW379.45 g/mol
LogP1.43
Rot. Bonds22

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

1-azido-2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane (PubChem CID 90929442) has the molecular formula C16H33N3O7 and a molecular weight of 379.45 g/mol. Its IUPAC name is 1-azido-2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane.

Molecular Properties

Compound Name1-azido-2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
PubChem CID90929442
Molecular FormulaC16H33N3O7
Molecular Weight379.45 g/mol
Exact Mass379.23
IUPAC Name1-azido-2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
SMILESCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C16H33N3O7/c1-2-20-5-6-22-9-10-24-13-14-26-16-15-25-12-11-23-8-7-21-4-3-18-19-17/h2-16H2,1H3
InChIKeyVCXRAIDKJSUXDS-UHFFFAOYSA-N
XLogP1.43
TPSA113.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 51.43
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': '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-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
The IUPAC name of 1-azido-2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane (CID 90929442) is 1-azido-2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane.
What is the SMILES notation for 1-azido-2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
The canonical SMILES for 1-azido-2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane is CCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of 1-azido-2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
The InChIKey is VCXRAIDKJSUXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O7/c1-2-20-5-6-22-9-10-24-13-14-26-16-15-25-12-11-23-8-7-21-4-3-18-19-17/h2-16H2,1H3.
What are the key properties of 1-azido-2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
1-azido-2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane has a molecular weight of 379.45 g/mol, XLogP of 1.43, 22 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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane is sourced from PubChem (CID 90929442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).