4-[2-(1-ethoxy-3-methoxypropoxy)ethyl]morpholin-4-ium

C12H26NO4+ — CID 162483331

IUPAC4-[2-(1-ethoxy-3-methoxypropoxy)ethyl]morpholin-4-ium
SMILESCCOC(CCOC)OCC[NH+]1CCOCC1
InChIInChI=1S/C12H25NO4/c1-3-16-12(4-8-14-2)17-11-7-13-5-9-15-10-6-13/h12H,3-11H2,1-2H3/p+1
InChIKeyFLLFNCFRSKZMEV-UHFFFAOYSA-O
MW248.34 g/mol
LogP-0.68
Rot. Bonds9

About 4-[2-(1-ethoxy-3-methoxypropoxy)ethyl]morpholin-4-ium

4-[2-(1-ethoxy-3-methoxypropoxy)ethyl]morpholin-4-ium (PubChem CID 162483331) has the molecular formula C12H26NO4+ and a molecular weight of 248.34 g/mol. Its IUPAC name is 4-[2-(1-ethoxy-3-methoxypropoxy)ethyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[2-(1-ethoxy-3-methoxypropoxy)ethyl]morpholin-4-ium
PubChem CID162483331
Molecular FormulaC12H26NO4+
Molecular Weight248.34 g/mol
Exact Mass248.19
IUPAC Name4-[2-(1-ethoxy-3-methoxypropoxy)ethyl]morpholin-4-ium
SMILESCCOC(CCOC)OCC[NH+]1CCOCC1
InChIInChI=1S/C12H25NO4/c1-3-16-12(4-8-14-2)17-11-7-13-5-9-15-10-6-13/h12H,3-11H2,1-2H3/p+1
InChIKeyFLLFNCFRSKZMEV-UHFFFAOYSA-O
XLogP-0.68
TPSA41.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-ethoxy-3-methoxypropoxy)ethyl]morpholin-4-ium?
The IUPAC name of 4-[2-(1-ethoxy-3-methoxypropoxy)ethyl]morpholin-4-ium (CID 162483331) is 4-[2-(1-ethoxy-3-methoxypropoxy)ethyl]morpholin-4-ium.
What is the SMILES notation for 4-[2-(1-ethoxy-3-methoxypropoxy)ethyl]morpholin-4-ium?
The canonical SMILES for 4-[2-(1-ethoxy-3-methoxypropoxy)ethyl]morpholin-4-ium is CCOC(CCOC)OCC[NH+]1CCOCC1.
What is the InChIKey of 4-[2-(1-ethoxy-3-methoxypropoxy)ethyl]morpholin-4-ium?
The InChIKey is FLLFNCFRSKZMEV-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H25NO4/c1-3-16-12(4-8-14-2)17-11-7-13-5-9-15-10-6-13/h12H,3-11H2,1-2H3/p+1.
What are the key properties of 4-[2-(1-ethoxy-3-methoxypropoxy)ethyl]morpholin-4-ium?
4-[2-(1-ethoxy-3-methoxypropoxy)ethyl]morpholin-4-ium has a molecular weight of 248.34 g/mol, XLogP of -0.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-ethoxy-3-methoxypropoxy)ethyl]morpholin-4-ium is sourced from PubChem (CID 162483331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).