oxalic acid;tetraethylazanium

C10H22NO4+ — CID 24888116

IUPACoxalic acid;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.O=C(O)C(=O)O
InChIInChI=1S/C8H20N.C2H2O4/c1-5-9(6-2,7-3)8-4;3-1(4)2(5)6/h5-8H2,1-4H3;(H,3,4)(H,5,6)/q+1;
InChIKeyPOQQCFGEBOXGIT-UHFFFAOYSA-N
MW220.29 g/mol
LogP1.04
Rot. Bonds4

About oxalic acid;tetraethylazanium

oxalic acid;tetraethylazanium (PubChem CID 24888116) has the molecular formula C10H22NO4+ and a molecular weight of 220.29 g/mol. Its IUPAC name is oxalic acid;tetraethylazanium.

Molecular Properties

Compound Nameoxalic acid;tetraethylazanium
PubChem CID24888116
Molecular FormulaC10H22NO4+
Molecular Weight220.29 g/mol
Exact Mass220.15
IUPAC Nameoxalic acid;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.O=C(O)C(=O)O
InChIInChI=1S/C8H20N.C2H2O4/c1-5-9(6-2,7-3)8-4;3-1(4)2(5)6/h5-8H2,1-4H3;(H,3,4)(H,5,6)/q+1;
InChIKeyPOQQCFGEBOXGIT-UHFFFAOYSA-N
XLogP1.04
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

carbamic acid;tetraethylazanium
CID 159284464
tetraethylazanium;urea;hydroxide
CID 175541942
2-aminopropanoic acid;tetraethylazanium
CID 175034793
methanol;tetraethylazanium;hydroxide
CID 159654840
ethanol;oxalic acid
CID 172820699
phosphenous acid;tetraethylazanium
CID 14943914
dihydroxy(oxo)phosphanium;tetraethylazanium
CID 175533770
iron(2+);tetraethylazanium
CID 159930273
tetraethylazanium hydroxide
CID 6509
hydroxylamine;tetraethylazanium;hydrate
CID 174752646
tetraethylazanium;fluoride;dihydrate
CID 2776564
prop-2-enamide;tetraethylazanium
CID 160757497

Frequently Asked Questions

What is the IUPAC name of oxalic acid;tetraethylazanium?
The IUPAC name of oxalic acid;tetraethylazanium (CID 24888116) is oxalic acid;tetraethylazanium.
What is the SMILES notation for oxalic acid;tetraethylazanium?
The canonical SMILES for oxalic acid;tetraethylazanium is CC[N+](CC)(CC)CC.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;tetraethylazanium?
The InChIKey is POQQCFGEBOXGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.C2H2O4/c1-5-9(6-2,7-3)8-4;3-1(4)2(5)6/h5-8H2,1-4H3;(H,3,4)(H,5,6)/q+1;.
What are the key properties of oxalic acid;tetraethylazanium?
oxalic acid;tetraethylazanium has a molecular weight of 220.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;tetraethylazanium is sourced from PubChem (CID 24888116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).