diethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate

C11H25NO4 — CID 167445572

IUPACdiethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate
SMILESCCOC(=O)[O-].CC[N+](C)(CC)CCOC
InChIInChI=1S/C8H20NO.C3H6O3/c1-5-9(3,6-2)7-8-10-4;1-2-6-3(4)5/h5-8H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyYFKSOMIVEAKKNV-UHFFFAOYSA-M
MW235.32 g/mol
LogP0.49
Rot. Bonds6

About diethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate

diethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate (PubChem CID 167445572) has the molecular formula C11H25NO4 and a molecular weight of 235.32 g/mol. Its IUPAC name is diethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate.

Molecular Properties

Compound Namediethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate
PubChem CID167445572
Molecular FormulaC11H25NO4
Molecular Weight235.32 g/mol
Exact Mass235.18
IUPAC Namediethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate
SMILESCCOC(=O)[O-].CC[N+](C)(CC)CCOC
InChIInChI=1S/C8H20NO.C3H6O3/c1-5-9(3,6-2)7-8-10-4;1-2-6-3(4)5/h5-8H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyYFKSOMIVEAKKNV-UHFFFAOYSA-M
XLogP0.49
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl-(2-methoxyethyl)-methylazanium iodide
CID 71374868
diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate
CID 118645363
ethyl carbonate;tributyl(methyl)azanium
CID 137355967
diethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium
CID 90306950
2-ethoxyethyl(triethyl)azanium;ethyl carbonate
CID 167445600
bis(2-methoxyethyl)-dimethylazanium;methyl carbonate
CID 167445577
diethyl-[2-(2-methoxyethoxy)ethyl]-methylazanium chloride
CID 167445594
bis(bis(2-methoxyethyl)-dimethylazanium);carbonate
CID 87147133
lithium 2-methoxyethyl carbonate
CID 139846001
diethyl-methyl-propylazanium;2-methoxyacetate
CID 118645672
didecyl(dimethyl)azanium;ethyl carbonate
CID 22256010
diethyl-(methoxymethyl)-methylazanium;propanoate
CID 140577543

Frequently Asked Questions

What is the IUPAC name of diethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate?
The IUPAC name of diethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate (CID 167445572) is diethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate.
What is the SMILES notation for diethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate?
The canonical SMILES for diethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate is CCOC(=O)[O-].CC[N+](C)(CC)CCOC.
What is the InChIKey of diethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate?
The InChIKey is YFKSOMIVEAKKNV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20NO.C3H6O3/c1-5-9(3,6-2)7-8-10-4;1-2-6-3(4)5/h5-8H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1.
What are the key properties of diethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate?
diethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate has a molecular weight of 235.32 g/mol, XLogP of 0.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate is sourced from PubChem (CID 167445572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).