4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate

C17H35NO7 — CID 118645555

IUPAC4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
SMILESCCOCC[N+]1(C)CCOCC1.COCCOCCOCCC(=O)[O-]
InChIInChI=1S/C9H20NO2.C8H16O5/c1-3-11-7-4-10(2)5-8-12-9-6-10;1-11-4-5-13-7-6-12-3-2-8(9)10/h3-9H2,1-2H3;2-7H2,1H3,(H,9,10)/q+1;/p-1
InChIKeyPKBYSWJKTSNRPH-UHFFFAOYSA-M
MW365.47 g/mol
LogP-0.69
Rot. Bonds13

About 4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate

4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate (PubChem CID 118645555) has the molecular formula C17H35NO7 and a molecular weight of 365.47 g/mol. Its IUPAC name is 4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate.

Molecular Properties

Compound Name4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
PubChem CID118645555
Molecular FormulaC17H35NO7
Molecular Weight365.47 g/mol
Exact Mass365.24
IUPAC Name4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
SMILESCCOCC[N+]1(C)CCOCC1.COCCOCCOCCC(=O)[O-]
InChIInChI=1S/C9H20NO2.C8H16O5/c1-3-11-7-4-10(2)5-8-12-9-6-10;1-11-4-5-13-7-6-12-3-2-8(9)10/h3-9H2,1-2H3;2-7H2,1H3,(H,9,10)/q+1;/p-1
InChIKeyPKBYSWJKTSNRPH-UHFFFAOYSA-M
XLogP-0.69
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;4-(2-methoxyethyl)-4-methylmorpholin-4-ium
CID 118645449
4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium
CID 102434092
bis(3-(2-methoxyethoxy)propanoate);bis(1-(2-methoxyethyl)-1-methylpiperidin-1-ium)
CID 161399909
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;3-(2-ethoxyethoxy)propanoate
CID 118645363
ethanol;3-ethoxypropanoate
CID 23090651
4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium
CID 154509592
2-dodecoxyethyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate
CID 10694275
3-(2-ethoxyethoxy)propanoate;tetrapropylazanium
CID 118645065
3-(2-methoxyethoxy)propanoate;tetrapropylazanium
CID 118645219
4-butyl-4-[2-(2-methoxyethoxy)ethyl]morpholin-4-ium
CID 154509594

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate?
The IUPAC name of 4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate (CID 118645555) is 4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate.
What is the SMILES notation for 4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate?
The canonical SMILES for 4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate is CCOCC[N+]1(C)CCOCC1.COCCOCCOCCC(=O)[O-].
What is the InChIKey of 4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate?
The InChIKey is PKBYSWJKTSNRPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20NO2.C8H16O5/c1-3-11-7-4-10(2)5-8-12-9-6-10;1-11-4-5-13-7-6-12-3-2-8(9)10/h3-9H2,1-2H3;2-7H2,1H3,(H,9,10)/q+1;/p-1.
What are the key properties of 4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate?
4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate has a molecular weight of 365.47 g/mol, XLogP of -0.69, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate is sourced from PubChem (CID 118645555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).