bis(1-methoxyethyl(trimethyl)azanium);oxalate

C14H32N2O6 — CID 87192786

IUPACbis(1-methoxyethyl(trimethyl)azanium);oxalate
SMILESCOC(C)[N+](C)(C)C.COC(C)[N+](C)(C)C.O=C([O-])C(=O)[O-]
InChIInChI=1S/2C6H16NO.C2H2O4/c2*1-6(8-5)7(2,3)4;3-1(4)2(5)6/h2*6H,1-5H3;(H,3,4)(H,5,6)/q2*+1;/p-2
InChIKeyHFPXAYAEQBSFLF-UHFFFAOYSA-L
MW324.42 g/mol
LogP-2.14
Rot. Bonds4

About bis(1-methoxyethyl(trimethyl)azanium);oxalate

bis(1-methoxyethyl(trimethyl)azanium);oxalate (PubChem CID 87192786) has the molecular formula C14H32N2O6 and a molecular weight of 324.42 g/mol. Its IUPAC name is bis(1-methoxyethyl(trimethyl)azanium);oxalate.

Molecular Properties

Compound Namebis(1-methoxyethyl(trimethyl)azanium);oxalate
PubChem CID87192786
Molecular FormulaC14H32N2O6
Molecular Weight324.42 g/mol
Exact Mass324.23
IUPAC Namebis(1-methoxyethyl(trimethyl)azanium);oxalate
SMILESCOC(C)[N+](C)(C)C.COC(C)[N+](C)(C)C.O=C([O-])C(=O)[O-]
InChIInChI=1S/2C6H16NO.C2H2O4/c2*1-6(8-5)7(2,3)4;3-1(4)2(5)6/h2*6H,1-5H3;(H,3,4)(H,5,6)/q2*+1;/p-2
InChIKeyHFPXAYAEQBSFLF-UHFFFAOYSA-L
XLogP-2.14
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 5-2.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

hydrogen carbonate;tris(1-methoxyethyl)-methylazanium
CID 173017758
dipotassium;1,1-dimethoxyethane;carbonate
CID 174946253
oxalate;tris(tetramethylazanium);chloride
CID 156783427
1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate
CID 175573015
1-methoxyethyl-dimethyl-(3-methyl-2-oxobut-3-enyl)azanium chloride
CID 174493549
trimethyl-[1-[4-oxo-4-[1-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium
CID 20975838
3-methyl-2-(trimethylazaniumyl)pentanoate
CID 157010299
methylazanide;oxalate;platinum(4+)
CID 138399538
bismuth tris(2-hydroxy-2-methoxyacetate)
CID 22600203
potassium 2-hydroxypropanoate
CID 23671663
tetrapotassium;octakis(cadmium(2+));oxalate
CID 173357268
oxalate;yttrium(3+)
CID 21124343

Frequently Asked Questions

What is the IUPAC name of bis(1-methoxyethyl(trimethyl)azanium);oxalate?
The IUPAC name of bis(1-methoxyethyl(trimethyl)azanium);oxalate (CID 87192786) is bis(1-methoxyethyl(trimethyl)azanium);oxalate.
What is the SMILES notation for bis(1-methoxyethyl(trimethyl)azanium);oxalate?
The canonical SMILES for bis(1-methoxyethyl(trimethyl)azanium);oxalate is COC(C)[N+](C)(C)C.COC(C)[N+](C)(C)C.O=C([O-])C(=O)[O-].
What is the InChIKey of bis(1-methoxyethyl(trimethyl)azanium);oxalate?
The InChIKey is HFPXAYAEQBSFLF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H16NO.C2H2O4/c2*1-6(8-5)7(2,3)4;3-1(4)2(5)6/h2*6H,1-5H3;(H,3,4)(H,5,6)/q2*+1;/p-2.
What are the key properties of bis(1-methoxyethyl(trimethyl)azanium);oxalate?
bis(1-methoxyethyl(trimethyl)azanium);oxalate has a molecular weight of 324.42 g/mol, XLogP of -2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methoxyethyl(trimethyl)azanium);oxalate is sourced from PubChem (CID 87192786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).