oxalate;tris(tetramethylazanium);chloride

C14H36ClN3O4 — CID 156783427

IUPACoxalate;tris(tetramethylazanium);chloride
SMILESC[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.O=C([O-])C(=O)[O-].[Cl-]
InChIInChI=1S/3C4H12N.C2H2O4.ClH/c3*1-5(2,3)4;3-1(4)2(5)6;/h3*1-4H3;(H,3,4)(H,5,6);1H/q3*+1;;/p-3
InChIKeyHPYLYZYKGOXQKE-UHFFFAOYSA-K
MW345.91 g/mol
LogP-5.54
Rot. Bonds

About oxalate;tris(tetramethylazanium);chloride

oxalate;tris(tetramethylazanium);chloride (PubChem CID 156783427) has the molecular formula C14H36ClN3O4 and a molecular weight of 345.91 g/mol. Its IUPAC name is oxalate;tris(tetramethylazanium);chloride.

Molecular Properties

Compound Nameoxalate;tris(tetramethylazanium);chloride
PubChem CID156783427
Molecular FormulaC14H36ClN3O4
Molecular Weight345.91 g/mol
Exact Mass345.24
IUPAC Nameoxalate;tris(tetramethylazanium);chloride
SMILESC[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.O=C([O-])C(=O)[O-].[Cl-]
InChIInChI=1S/3C4H12N.C2H2O4.ClH/c3*1-5(2,3)4;3-1(4)2(5)6;/h3*1-4H3;(H,3,4)(H,5,6);1H/q3*+1;;/p-3
InChIKeyHPYLYZYKGOXQKE-UHFFFAOYSA-K
XLogP-5.54
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.91
LogP ≤ 5-5.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalate;tris(tetramethylazanium);chloride?
The IUPAC name of oxalate;tris(tetramethylazanium);chloride (CID 156783427) is oxalate;tris(tetramethylazanium);chloride.
What is the SMILES notation for oxalate;tris(tetramethylazanium);chloride?
The canonical SMILES for oxalate;tris(tetramethylazanium);chloride is C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.O=C([O-])C(=O)[O-].[Cl-].
What is the InChIKey of oxalate;tris(tetramethylazanium);chloride?
The InChIKey is HPYLYZYKGOXQKE-UHFFFAOYSA-K. The full InChI is InChI=1S/3C4H12N.C2H2O4.ClH/c3*1-5(2,3)4;3-1(4)2(5)6;/h3*1-4H3;(H,3,4)(H,5,6);1H/q3*+1;;/p-3.
What are the key properties of oxalate;tris(tetramethylazanium);chloride?
oxalate;tris(tetramethylazanium);chloride has a molecular weight of 345.91 g/mol, XLogP of -5.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalate;tris(tetramethylazanium);chloride is sourced from PubChem (CID 156783427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).