2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate

C12H23N3O6 — CID 163629777

IUPAC2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C12H23N3O6/c1-12(16)21-11-10-20-9-8-19-7-6-18-5-4-17-3-2-14-15-13/h2-11H2,1H3
InChIKeyKKYLPWFPSKIUKD-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.93
Rot. Bonds15

About 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate

2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate (PubChem CID 163629777) has the molecular formula C12H23N3O6 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate
PubChem CID163629777
Molecular FormulaC12H23N3O6
Molecular Weight305.33 g/mol
Exact Mass305.16
IUPAC Name2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C12H23N3O6/c1-12(16)21-11-10-20-9-8-19-7-6-18-5-4-17-3-2-14-15-13/h2-11H2,1H3
InChIKeyKKYLPWFPSKIUKD-UHFFFAOYSA-N
XLogP0.93
TPSA111.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate?
The IUPAC name of 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate (CID 163629777) is 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate.
What is the SMILES notation for 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate?
The canonical SMILES for 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate is CC(=O)OCCOCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate?
The InChIKey is KKYLPWFPSKIUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O6/c1-12(16)21-11-10-20-9-8-19-7-6-18-5-4-17-3-2-14-15-13/h2-11H2,1H3.
What are the key properties of 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate?
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate has a molecular weight of 305.33 g/mol, XLogP of 0.93, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate is sourced from PubChem (CID 163629777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).