[ethoxy(oxido)azaniumyl]oxyethane

C4H11NO3 — CID 87189424

IUPAC[ethoxy(oxido)azaniumyl]oxyethane
SMILESCCO[NH+]([O-])OCC
InChIInChI=1S/C4H11NO3/c1-3-7-5(6)8-4-2/h5H,3-4H2,1-2H3
InChIKeyCWHQHLDDQKPCHD-UHFFFAOYSA-N
MW121.14 g/mol
LogP-0.73
Rot. Bonds4

About [ethoxy(oxido)azaniumyl]oxyethane

[ethoxy(oxido)azaniumyl]oxyethane (PubChem CID 87189424) has the molecular formula C4H11NO3 and a molecular weight of 121.14 g/mol. Its IUPAC name is [ethoxy(oxido)azaniumyl]oxyethane.

Molecular Properties

Compound Name[ethoxy(oxido)azaniumyl]oxyethane
PubChem CID87189424
Molecular FormulaC4H11NO3
Molecular Weight121.14 g/mol
Exact Mass121.07
IUPAC Name[ethoxy(oxido)azaniumyl]oxyethane
SMILESCCO[NH+]([O-])OCC
InChIInChI=1S/C4H11NO3/c1-3-7-5(6)8-4-2/h5H,3-4H2,1-2H3
InChIKeyCWHQHLDDQKPCHD-UHFFFAOYSA-N
XLogP-0.73
TPSA45.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [ethoxy(oxido)azaniumyl]oxyethane?
The IUPAC name of [ethoxy(oxido)azaniumyl]oxyethane (CID 87189424) is [ethoxy(oxido)azaniumyl]oxyethane.
What is the SMILES notation for [ethoxy(oxido)azaniumyl]oxyethane?
The canonical SMILES for [ethoxy(oxido)azaniumyl]oxyethane is CCO[NH+]([O-])OCC.
What is the InChIKey of [ethoxy(oxido)azaniumyl]oxyethane?
The InChIKey is CWHQHLDDQKPCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3/c1-3-7-5(6)8-4-2/h5H,3-4H2,1-2H3.
What are the key properties of [ethoxy(oxido)azaniumyl]oxyethane?
[ethoxy(oxido)azaniumyl]oxyethane has a molecular weight of 121.14 g/mol, XLogP of -0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(oxido)azaniumyl]oxyethane is sourced from PubChem (CID 87189424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).