diethoxy(oxo)azanium hydroxide

C4H11NO4 — CID 88727987

IUPACdiethoxy(oxo)azanium hydroxide
SMILESCCO[N+](=O)OCC.[OH-]
InChIInChI=1S/C4H10NO3.H2O/c1-3-7-5(6)8-4-2;/h3-4H2,1-2H3;1H2/q+1;/p-1
InChIKeyRUNBKZIRQRRZCX-UHFFFAOYSA-M
MW137.14 g/mol
LogP0.49
Rot. Bonds4

About diethoxy(oxo)azanium hydroxide

diethoxy(oxo)azanium hydroxide (PubChem CID 88727987) has the molecular formula C4H11NO4 and a molecular weight of 137.14 g/mol. Its IUPAC name is diethoxy(oxo)azanium hydroxide.

Molecular Properties

Compound Namediethoxy(oxo)azanium hydroxide
PubChem CID88727987
Molecular FormulaC4H11NO4
Molecular Weight137.14 g/mol
Exact Mass137.07
IUPAC Namediethoxy(oxo)azanium hydroxide
SMILESCCO[N+](=O)OCC.[OH-]
InChIInChI=1S/C4H10NO3.H2O/c1-3-7-5(6)8-4-2;/h3-4H2,1-2H3;1H2/q+1;/p-1
InChIKeyRUNBKZIRQRRZCX-UHFFFAOYSA-M
XLogP0.49
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 diethoxy(oxo)azanium hydroxide?
The IUPAC name of diethoxy(oxo)azanium hydroxide (CID 88727987) is diethoxy(oxo)azanium hydroxide.
What is the SMILES notation for diethoxy(oxo)azanium hydroxide?
The canonical SMILES for diethoxy(oxo)azanium hydroxide is CCO[N+](=O)OCC.[OH-].
What is the InChIKey of diethoxy(oxo)azanium hydroxide?
The InChIKey is RUNBKZIRQRRZCX-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10NO3.H2O/c1-3-7-5(6)8-4-2;/h3-4H2,1-2H3;1H2/q+1;/p-1.
What are the key properties of diethoxy(oxo)azanium hydroxide?
diethoxy(oxo)azanium hydroxide has a molecular weight of 137.14 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(oxo)azanium hydroxide is sourced from PubChem (CID 88727987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).