1-azido-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide

C14H27N3O8 — CID 158766699

IUPAC1-azido-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide
SMILESCOCCOCCOCCOCCOCCOCCN=[N+]=[N-].O=C=O
InChIInChI=1S/C13H27N3O6.CO2/c1-17-4-5-19-8-9-21-12-13-22-11-10-20-7-6-18-3-2-15-16-14;2-1-3/h2-13H2,1H3;
InChIKeyIPITVTKHEUSELE-UHFFFAOYSA-N
MW365.38 g/mol
LogP0.44
Rot. Bonds18

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

1-azido-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide (PubChem CID 158766699) has the molecular formula C14H27N3O8 and a molecular weight of 365.38 g/mol. Its IUPAC name is 1-azido-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide.

Molecular Properties

Compound Name1-azido-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide
PubChem CID158766699
Molecular FormulaC14H27N3O8
Molecular Weight365.38 g/mol
Exact Mass365.18
IUPAC Name1-azido-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide
SMILESCOCCOCCOCCOCCOCCOCCN=[N+]=[N-].O=C=O
InChIInChI=1S/C13H27N3O6.CO2/c1-17-4-5-19-8-9-21-12-13-22-11-10-20-7-6-18-3-2-15-16-14;2-1-3/h2-13H2,1H3;
InChIKeyIPITVTKHEUSELE-UHFFFAOYSA-N
XLogP0.44
TPSA138.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 50.44
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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Related Compounds

1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 165429946
1-azido-2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796295
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796317
methyl 2-[2-(2-azidoethoxy)ethoxy]acetate
CID 16723228
4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one
CID 170113917
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate
CID 163629777
1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 151612117
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 89142386
3-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 77078450
3-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59103378
sodium;1-azido-2-(2-methoxyethoxy)ethane;methane;2-(2-methoxyethoxy)ethanol;2-(2-methoxyethoxy)ethyl methanesulfonate;azide
CID 167609370
2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate
CID 11265269

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide?
The IUPAC name of 1-azido-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide (CID 158766699) is 1-azido-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide.
What is the SMILES notation for 1-azido-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide?
The canonical SMILES for 1-azido-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide is COCCOCCOCCOCCOCCOCCN=[N+]=[N-].O=C=O.
What is the InChIKey of 1-azido-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide?
The InChIKey is IPITVTKHEUSELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O6.CO2/c1-17-4-5-19-8-9-21-12-13-22-11-10-20-7-6-18-3-2-15-16-14;2-1-3/h2-13H2,1H3;.
What are the key properties of 1-azido-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide?
1-azido-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide has a molecular weight of 365.38 g/mol, XLogP of 0.44, 18 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-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide is sourced from PubChem (CID 158766699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).