4,4-diethylmorpholin-4-ium hydroxide

C8H19NO2 — CID 172822259

IUPAC4,4-diethylmorpholin-4-ium hydroxide
SMILESCC[N+]1(CC)CCOCC1.[OH-]
InChIInChI=1S/C8H18NO.H2O/c1-3-9(4-2)5-7-10-8-6-9;/h3-8H2,1-2H3;1H2/q+1;/p-1
InChIKeyUJQRLVBLCPZPIM-UHFFFAOYSA-M
MW161.25 g/mol
LogP0.70
Rot. Bonds2

About 4,4-diethylmorpholin-4-ium hydroxide

4,4-diethylmorpholin-4-ium hydroxide (PubChem CID 172822259) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 4,4-diethylmorpholin-4-ium hydroxide.

Molecular Properties

Compound Name4,4-diethylmorpholin-4-ium hydroxide
PubChem CID172822259
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name4,4-diethylmorpholin-4-ium hydroxide
SMILESCC[N+]1(CC)CCOCC1.[OH-]
InChIInChI=1S/C8H18NO.H2O/c1-3-9(4-2)5-7-10-8-6-9;/h3-8H2,1-2H3;1H2/q+1;/p-1
InChIKeyUJQRLVBLCPZPIM-UHFFFAOYSA-M
XLogP0.70
TPSA39.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethylmorpholin-4-ium hydroxide?
The IUPAC name of 4,4-diethylmorpholin-4-ium hydroxide (CID 172822259) is 4,4-diethylmorpholin-4-ium hydroxide.
What is the SMILES notation for 4,4-diethylmorpholin-4-ium hydroxide?
The canonical SMILES for 4,4-diethylmorpholin-4-ium hydroxide is CC[N+]1(CC)CCOCC1.[OH-].
What is the InChIKey of 4,4-diethylmorpholin-4-ium hydroxide?
The InChIKey is UJQRLVBLCPZPIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18NO.H2O/c1-3-9(4-2)5-7-10-8-6-9;/h3-8H2,1-2H3;1H2/q+1;/p-1.
What are the key properties of 4,4-diethylmorpholin-4-ium hydroxide?
4,4-diethylmorpholin-4-ium hydroxide has a molecular weight of 161.25 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethylmorpholin-4-ium hydroxide is sourced from PubChem (CID 172822259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).