4-hexyl-4-methylmorpholin-4-ium hydroxide

C11H25NO2 — CID 15768567

IUPAC4-hexyl-4-methylmorpholin-4-ium hydroxide
SMILESCCCCCC[N+]1(C)CCOCC1.[OH-]
InChIInChI=1S/C11H24NO.H2O/c1-3-4-5-6-7-12(2)8-10-13-11-9-12;/h3-11H2,1-2H3;1H2/q+1;/p-1
InChIKeyLVIRGPQXIJSVQJ-UHFFFAOYSA-M
MW203.33 g/mol
LogP1.87
Rot. Bonds5

About 4-hexyl-4-methylmorpholin-4-ium hydroxide

4-hexyl-4-methylmorpholin-4-ium hydroxide (PubChem CID 15768567) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-hexyl-4-methylmorpholin-4-ium hydroxide.

Molecular Properties

Compound Name4-hexyl-4-methylmorpholin-4-ium hydroxide
PubChem CID15768567
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name4-hexyl-4-methylmorpholin-4-ium hydroxide
SMILESCCCCCC[N+]1(C)CCOCC1.[OH-]
InChIInChI=1S/C11H24NO.H2O/c1-3-4-5-6-7-12(2)8-10-13-11-9-12;/h3-11H2,1-2H3;1H2/q+1;/p-1
InChIKeyLVIRGPQXIJSVQJ-UHFFFAOYSA-M
XLogP1.87
TPSA39.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1,4-dimethyl-1,4-di(tetradecyl)piperazine-1,4-diium
CID 101485350
4-dodecyl-4-hexylmorpholin-4-ium
CID 158333828
1-methyl-1-nonylpyrrolidin-1-ium
CID 66835403
1-icosyl-1,4,4,7,7-pentamethyl-1,4,7-triazonane-1,4,7-triium
CID 134450987
N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]octadecanamide
CID 3023894
1,3,5-trimethyl-1,3,5-trioctyl-1,3,5-triazinane-1,3,5-triium
CID 88637841
1-hexadecyl-1-methylazocan-1-ium bromide
CID 44612945
dodecyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate
CID 10763151
1-methyl-1-undecylpyrrolidin-1-ium cyanide
CID 171570218
2-(4-methylmorpholin-4-ium-4-yl)ethoxy-octadecylphosphinate
CID 23641597
ethyl 6-(4-methylmorpholin-4-ium-4-yl)hexanoate
CID 135319428
1,4-dioxane;tetradecane
CID 159034856

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-4-methylmorpholin-4-ium hydroxide?
The IUPAC name of 4-hexyl-4-methylmorpholin-4-ium hydroxide (CID 15768567) is 4-hexyl-4-methylmorpholin-4-ium hydroxide.
What is the SMILES notation for 4-hexyl-4-methylmorpholin-4-ium hydroxide?
The canonical SMILES for 4-hexyl-4-methylmorpholin-4-ium hydroxide is CCCCCC[N+]1(C)CCOCC1.[OH-].
What is the InChIKey of 4-hexyl-4-methylmorpholin-4-ium hydroxide?
The InChIKey is LVIRGPQXIJSVQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H24NO.H2O/c1-3-4-5-6-7-12(2)8-10-13-11-9-12;/h3-11H2,1-2H3;1H2/q+1;/p-1.
What are the key properties of 4-hexyl-4-methylmorpholin-4-ium hydroxide?
4-hexyl-4-methylmorpholin-4-ium hydroxide has a molecular weight of 203.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-4-methylmorpholin-4-ium hydroxide is sourced from PubChem (CID 15768567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).