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

C12H24ClN3O5 — CID 170117049

IUPAC1-azido-2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOCCCl
InChIInChI=1S/C12H24ClN3O5/c13-1-3-17-5-7-19-9-11-21-12-10-20-8-6-18-4-2-15-16-14/h1-12H2
InChIKeyRQIVOTFIPBTBNT-UHFFFAOYSA-N
MW325.79 g/mol
LogP1.62
Rot. Bonds17

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

1-azido-2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane (PubChem CID 170117049) has the molecular formula C12H24ClN3O5 and a molecular weight of 325.79 g/mol. Its IUPAC name is 1-azido-2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane.

Molecular Properties

Compound Name1-azido-2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane
PubChem CID170117049
Molecular FormulaC12H24ClN3O5
Molecular Weight325.79 g/mol
Exact Mass325.14
IUPAC Name1-azido-2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOCCCl
InChIInChI=1S/C12H24ClN3O5/c13-1-3-17-5-7-19-9-11-21-12-10-20-8-6-18-4-2-15-16-14/h1-12H2
InChIKeyRQIVOTFIPBTBNT-UHFFFAOYSA-N
XLogP1.62
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane?
The IUPAC name of 1-azido-2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane (CID 170117049) is 1-azido-2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane.
What is the SMILES notation for 1-azido-2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane?
The canonical SMILES for 1-azido-2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane is [N-]=[N+]=NCCOCCOCCOCCOCCOCCCl.
What is the InChIKey of 1-azido-2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane?
The InChIKey is RQIVOTFIPBTBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClN3O5/c13-1-3-17-5-7-19-9-11-21-12-10-20-8-6-18-4-2-15-16-14/h1-12H2.
What are the key properties of 1-azido-2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane?
1-azido-2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane has a molecular weight of 325.79 g/mol, XLogP of 1.62, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane is sourced from PubChem (CID 170117049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).