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

C18H37N3O8 — CID 151612117

IUPAC1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
SMILESCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C18H37N3O8/c1-2-22-5-6-24-9-10-26-13-14-28-17-18-29-16-15-27-12-11-25-8-7-23-4-3-20-21-19/h2-18H2,1H3
InChIKeyQMSIQXVDWRFTHD-UHFFFAOYSA-N
MW423.51 g/mol
LogP1.45
Rot. Bonds25

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

1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane (PubChem CID 151612117) has the molecular formula C18H37N3O8 and a molecular weight of 423.51 g/mol. Its IUPAC name is 1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane.

Molecular Properties

Compound Name1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
PubChem CID151612117
Molecular FormulaC18H37N3O8
Molecular Weight423.51 g/mol
Exact Mass423.26
IUPAC Name1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
SMILESCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C18H37N3O8/c1-2-22-5-6-24-9-10-26-13-14-28-17-18-29-16-15-27-12-11-25-8-7-23-4-3-20-21-19/h2-18H2,1H3
InChIKeyQMSIQXVDWRFTHD-UHFFFAOYSA-N
XLogP1.45
TPSA122.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 51.45
H-Bond Donors ≤ 50
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 1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
The IUPAC name of 1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane (CID 151612117) is 1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane.
What is the SMILES notation for 1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
The canonical SMILES for 1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane is CCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of 1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
The InChIKey is QMSIQXVDWRFTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O8/c1-2-22-5-6-24-9-10-26-13-14-28-17-18-29-16-15-27-12-11-25-8-7-23-4-3-20-21-19/h2-18H2,1H3.
What are the key properties of 1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane has a molecular weight of 423.51 g/mol, XLogP of 1.45, 25 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane is sourced from PubChem (CID 151612117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).