diethoxy(oxo)azanium;dimethoxy(oxo)azanium

C6H16N2O6+2 — CID 87835191

IUPACdiethoxy(oxo)azanium;dimethoxy(oxo)azanium
SMILESCCO[N+](=O)OCC.CO[N+](=O)OC
InChIInChI=1S/C4H10NO3.C2H6NO3/c1-3-7-5(6)8-4-2;1-5-3(4)6-2/h3-4H2,1-2H3;1-2H3/q2*+1
InChIKeyQBDKIKFIHHLQAX-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.56
Rot. Bonds6

About diethoxy(oxo)azanium;dimethoxy(oxo)azanium

diethoxy(oxo)azanium;dimethoxy(oxo)azanium (PubChem CID 87835191) has the molecular formula C6H16N2O6+2 and a molecular weight of 212.20 g/mol. Its IUPAC name is diethoxy(oxo)azanium;dimethoxy(oxo)azanium.

Molecular Properties

Compound Namediethoxy(oxo)azanium;dimethoxy(oxo)azanium
PubChem CID87835191
Molecular FormulaC6H16N2O6+2
Molecular Weight212.20 g/mol
Exact Mass212.10
IUPAC Namediethoxy(oxo)azanium;dimethoxy(oxo)azanium
SMILESCCO[N+](=O)OCC.CO[N+](=O)OC
InChIInChI=1S/C4H10NO3.C2H6NO3/c1-3-7-5(6)8-4-2;1-5-3(4)6-2/h3-4H2,1-2H3;1-2H3/q2*+1
InChIKeyQBDKIKFIHHLQAX-UHFFFAOYSA-N
XLogP0.56
TPSA77.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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;dimethoxy(oxo)azanium?
The IUPAC name of diethoxy(oxo)azanium;dimethoxy(oxo)azanium (CID 87835191) is diethoxy(oxo)azanium;dimethoxy(oxo)azanium.
What is the SMILES notation for diethoxy(oxo)azanium;dimethoxy(oxo)azanium?
The canonical SMILES for diethoxy(oxo)azanium;dimethoxy(oxo)azanium is CCO[N+](=O)OCC.CO[N+](=O)OC.
What is the InChIKey of diethoxy(oxo)azanium;dimethoxy(oxo)azanium?
The InChIKey is QBDKIKFIHHLQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO3.C2H6NO3/c1-3-7-5(6)8-4-2;1-5-3(4)6-2/h3-4H2,1-2H3;1-2H3/q2*+1.
What are the key properties of diethoxy(oxo)azanium;dimethoxy(oxo)azanium?
diethoxy(oxo)azanium;dimethoxy(oxo)azanium has a molecular weight of 212.20 g/mol, XLogP of 0.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(oxo)azanium;dimethoxy(oxo)azanium is sourced from PubChem (CID 87835191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).