4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium

C12H26NO4+ — CID 102434092

IUPAC4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium
SMILESCOCCOCCOCC[N+]1(C)CCOCC1
InChIInChI=1S/C12H26NO4/c1-13(3-6-15-7-4-13)5-8-16-11-12-17-10-9-14-2/h3-12H2,1-2H3/q+1
InChIKeyLVSPOQUOADMQFN-UHFFFAOYSA-N
MW248.34 g/mol
LogP0.14
Rot. Bonds9

About 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium

4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium (PubChem CID 102434092) has the molecular formula C12H26NO4+ and a molecular weight of 248.34 g/mol. Its IUPAC name is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium.

Molecular Properties

Compound Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium
PubChem CID102434092
Molecular FormulaC12H26NO4+
Molecular Weight248.34 g/mol
Exact Mass248.19
IUPAC Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium
SMILESCOCCOCCOCC[N+]1(C)CCOCC1
InChIInChI=1S/C12H26NO4/c1-13(3-6-15-7-4-13)5-8-16-11-12-17-10-9-14-2/h3-12H2,1-2H3/q+1
InChIKeyLVSPOQUOADMQFN-UHFFFAOYSA-N
XLogP0.14
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium?
The IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium (CID 102434092) is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium.
What is the SMILES notation for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium?
The canonical SMILES for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium is COCCOCCOCC[N+]1(C)CCOCC1.
What is the InChIKey of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium?
The InChIKey is LVSPOQUOADMQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO4/c1-13(3-6-15-7-4-13)5-8-16-11-12-17-10-9-14-2/h3-12H2,1-2H3/q+1.
What are the key properties of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium?
4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium has a molecular weight of 248.34 g/mol, XLogP of 0.14, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium is sourced from PubChem (CID 102434092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).