diethoxy(oxo)azanium nitrate

C4H10N2O6 — CID 87921918

IUPACdiethoxy(oxo)azanium nitrate
SMILESCCO[N+](=O)OCC.O=[N+]([O-])[O-]
InChIInChI=1S/C4H10NO3.NO3/c1-3-7-5(6)8-4-2;2-1(3)4/h3-4H2,1-2H3;/q+1;-1
InChIKeySQXCRDMOSYTZFL-UHFFFAOYSA-N
MW182.13 g/mol
LogP0.43
Rot. Bonds4

About diethoxy(oxo)azanium nitrate

diethoxy(oxo)azanium nitrate (PubChem CID 87921918) has the molecular formula C4H10N2O6 and a molecular weight of 182.13 g/mol. Its IUPAC name is diethoxy(oxo)azanium nitrate.

Molecular Properties

Compound Namediethoxy(oxo)azanium nitrate
PubChem CID87921918
Molecular FormulaC4H10N2O6
Molecular Weight182.13 g/mol
Exact Mass182.05
IUPAC Namediethoxy(oxo)azanium nitrate
SMILESCCO[N+](=O)OCC.O=[N+]([O-])[O-]
InChIInChI=1S/C4H10NO3.NO3/c1-3-7-5(6)8-4-2;2-1(3)4/h3-4H2,1-2H3;/q+1;-1
InChIKeySQXCRDMOSYTZFL-UHFFFAOYSA-N
XLogP0.43
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'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 nitrate?
The IUPAC name of diethoxy(oxo)azanium nitrate (CID 87921918) is diethoxy(oxo)azanium nitrate.
What is the SMILES notation for diethoxy(oxo)azanium nitrate?
The canonical SMILES for diethoxy(oxo)azanium nitrate is CCO[N+](=O)OCC.O=[N+]([O-])[O-].
What is the InChIKey of diethoxy(oxo)azanium nitrate?
The InChIKey is SQXCRDMOSYTZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO3.NO3/c1-3-7-5(6)8-4-2;2-1(3)4/h3-4H2,1-2H3;/q+1;-1.
What are the key properties of diethoxy(oxo)azanium nitrate?
diethoxy(oxo)azanium nitrate has a molecular weight of 182.13 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(oxo)azanium nitrate is sourced from PubChem (CID 87921918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).