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

C19H39N3O9 — CID 58281141

IUPAC1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C19H39N3O9/c1-23-4-5-25-8-9-27-12-13-29-16-17-31-19-18-30-15-14-28-11-10-26-7-6-24-3-2-21-22-20/h2-19H2,1H3
InChIKeyYOCDAGUIMZYXKK-UHFFFAOYSA-N
MW453.53 g/mol
LogP1.08
Rot. Bonds27

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

1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane (PubChem CID 58281141) has the molecular formula C19H39N3O9 and a molecular weight of 453.53 g/mol. Its IUPAC name is 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane.

Molecular Properties

Compound Name1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
PubChem CID58281141
Molecular FormulaC19H39N3O9
Molecular Weight453.53 g/mol
Exact Mass453.27
IUPAC Name1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C19H39N3O9/c1-23-4-5-25-8-9-27-12-13-29-16-17-31-19-18-30-15-14-28-11-10-26-7-6-24-3-2-21-22-20/h2-19H2,1H3
InChIKeyYOCDAGUIMZYXKK-UHFFFAOYSA-N
XLogP1.08
TPSA131.83 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.53
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
The IUPAC name of 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane (CID 58281141) is 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane.
What is the SMILES notation for 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
The canonical SMILES for 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane is COCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
The InChIKey is YOCDAGUIMZYXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O9/c1-23-4-5-25-8-9-27-12-13-29-16-17-31-19-18-30-15-14-28-11-10-26-7-6-24-3-2-21-22-20/h2-19H2,1H3.
What are the key properties of 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane?
1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane has a molecular weight of 453.53 g/mol, XLogP of 1.08, 27 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane is sourced from PubChem (CID 58281141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).