bis(2-methoxyethyl)-dimethylazanium;methyl carbonate

C10H23NO5 — CID 167445577

IUPACbis(2-methoxyethyl)-dimethylazanium;methyl carbonate
SMILESCOC(=O)[O-].COCC[N+](C)(C)CCOC
InChIInChI=1S/C8H20NO2.C2H4O3/c1-9(2,5-7-10-3)6-8-11-4;1-5-2(3)4/h5-8H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyKGDIEFASAQHDFB-UHFFFAOYSA-M
MW237.30 g/mol
LogP-0.67
Rot. Bonds6

About bis(2-methoxyethyl)-dimethylazanium;methyl carbonate

bis(2-methoxyethyl)-dimethylazanium;methyl carbonate (PubChem CID 167445577) has the molecular formula C10H23NO5 and a molecular weight of 237.30 g/mol. Its IUPAC name is bis(2-methoxyethyl)-dimethylazanium;methyl carbonate.

Molecular Properties

Compound Namebis(2-methoxyethyl)-dimethylazanium;methyl carbonate
PubChem CID167445577
Molecular FormulaC10H23NO5
Molecular Weight237.30 g/mol
Exact Mass237.16
IUPAC Namebis(2-methoxyethyl)-dimethylazanium;methyl carbonate
SMILESCOC(=O)[O-].COCC[N+](C)(C)CCOC
InChIInChI=1S/C8H20NO2.C2H4O3/c1-9(2,5-7-10-3)6-8-11-4;1-5-2(3)4/h5-8H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyKGDIEFASAQHDFB-UHFFFAOYSA-M
XLogP-0.67
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(bis(2-methoxyethyl)-dimethylazanium);carbonate
CID 87147133
hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium
CID 171569271
carboxymethyl-(2-methoxyethyl)-dimethylazanium
CID 118019684
2-methoxyethyl-dimethyl-(2-oxopropyl)azanium
CID 163394784
dimethyl(dioctyl)azanium;methyl carbonate
CID 160720913
2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium iodide
CID 167445578
2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645100
bis(2-ethoxyethyl)-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645288
diethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate
CID 167445572
5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride
CID 161408438
bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride
CID 129073269
disodium;1,2-dimethoxyethane;carbonate
CID 86669059

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethyl)-dimethylazanium;methyl carbonate?
The IUPAC name of bis(2-methoxyethyl)-dimethylazanium;methyl carbonate (CID 167445577) is bis(2-methoxyethyl)-dimethylazanium;methyl carbonate.
What is the SMILES notation for bis(2-methoxyethyl)-dimethylazanium;methyl carbonate?
The canonical SMILES for bis(2-methoxyethyl)-dimethylazanium;methyl carbonate is COC(=O)[O-].COCC[N+](C)(C)CCOC.
What is the InChIKey of bis(2-methoxyethyl)-dimethylazanium;methyl carbonate?
The InChIKey is KGDIEFASAQHDFB-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20NO2.C2H4O3/c1-9(2,5-7-10-3)6-8-11-4;1-5-2(3)4/h5-8H2,1-4H3;1H3,(H,3,4)/q+1;/p-1.
What are the key properties of bis(2-methoxyethyl)-dimethylazanium;methyl carbonate?
bis(2-methoxyethyl)-dimethylazanium;methyl carbonate has a molecular weight of 237.30 g/mol, XLogP of -0.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethyl)-dimethylazanium;methyl carbonate is sourced from PubChem (CID 167445577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).