diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate

C15H33NO5 — CID 118645363

IUPACdiethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate
SMILESCCOCCOCCC(=O)[O-].CC[N+](C)(CC)CCOC
InChIInChI=1S/C8H20NO.C7H14O4/c1-5-9(3,6-2)7-8-10-4;1-2-10-5-6-11-4-3-7(8)9/h5-8H2,1-4H3;2-6H2,1H3,(H,8,9)/q+1;/p-1
InChIKeyHMIYWDTYTFULSR-UHFFFAOYSA-M
MW307.43 g/mol
LogP0.30
Rot. Bonds12

About diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate

diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate (PubChem CID 118645363) has the molecular formula C15H33NO5 and a molecular weight of 307.43 g/mol. Its IUPAC name is diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate.

Molecular Properties

Compound Namediethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate
PubChem CID118645363
Molecular FormulaC15H33NO5
Molecular Weight307.43 g/mol
Exact Mass307.24
IUPAC Namediethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate
SMILESCCOCCOCCC(=O)[O-].CC[N+](C)(CC)CCOC
InChIInChI=1S/C8H20NO.C7H14O4/c1-5-9(3,6-2)7-8-10-4;1-2-10-5-6-11-4-3-7(8)9/h5-8H2,1-4H3;2-6H2,1H3,(H,8,9)/q+1;/p-1
InChIKeyHMIYWDTYTFULSR-UHFFFAOYSA-M
XLogP0.30
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium
CID 118645294
diethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium
CID 90306950
3-(2-ethoxyethoxy)propanoate;tetrapropylazanium
CID 118645065
3-(2-methoxyethoxy)propanoate;tetrapropylazanium
CID 118645219
diethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate
CID 167445572
diethyl-[2-(2-methoxyethoxy)ethyl]-methylazanium chloride
CID 167445594
ethanol;3-ethoxypropanoate
CID 23090651
diethyl-(2-methoxyethyl)-methylazanium iodide
CID 71374868
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973

Frequently Asked Questions

What is the IUPAC name of diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate?
The IUPAC name of diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate (CID 118645363) is diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate.
What is the SMILES notation for diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate?
The canonical SMILES for diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate is CCOCCOCCC(=O)[O-].CC[N+](C)(CC)CCOC.
What is the InChIKey of diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate?
The InChIKey is HMIYWDTYTFULSR-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20NO.C7H14O4/c1-5-9(3,6-2)7-8-10-4;1-2-10-5-6-11-4-3-7(8)9/h5-8H2,1-4H3;2-6H2,1H3,(H,8,9)/q+1;/p-1.
What are the key properties of diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate?
diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate has a molecular weight of 307.43 g/mol, XLogP of 0.30, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate is sourced from PubChem (CID 118645363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).