4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one

C10H19N3O4 — CID 170113917

IUPAC4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one
SMILESCC(=O)CCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C10H19N3O4/c1-10(14)2-4-15-6-8-17-9-7-16-5-3-12-13-11/h2-9H2,1H3
InChIKeyRIJLHOYIQGXWEZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.33
Rot. Bonds12

About 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one

4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one (PubChem CID 170113917) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one.

Molecular Properties

Compound Name4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one
PubChem CID170113917
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one
SMILESCC(=O)CCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C10H19N3O4/c1-10(14)2-4-15-6-8-17-9-7-16-5-3-12-13-11/h2-9H2,1H3
InChIKeyRIJLHOYIQGXWEZ-UHFFFAOYSA-N
XLogP1.33
TPSA93.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

5-(2-azidoethoxy)pentan-2-one
CID 167591449
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
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate
CID 163629777
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
1-azido-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide
CID 158766699
methyl 2-[2-(2-azidoethoxy)ethoxy]acetate
CID 16723228
3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
CID 168855341
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
CID 166176636
1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 151612117

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one?
The IUPAC name of 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one (CID 170113917) is 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one.
What is the SMILES notation for 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one?
The canonical SMILES for 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one is CC(=O)CCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one?
The InChIKey is RIJLHOYIQGXWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-10(14)2-4-15-6-8-17-9-7-16-5-3-12-13-11/h2-9H2,1H3.
What are the key properties of 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one?
4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.33, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one is sourced from PubChem (CID 170113917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).