2-ethyl-4-hexyl-4-oxidomorpholin-4-ium

C12H25NO2 — CID 155144383

IUPAC2-ethyl-4-hexyl-4-oxidomorpholin-4-ium
SMILESCCCCCC[N+]1([O-])CCOC(CC)C1
InChIInChI=1S/C12H25NO2/c1-3-5-6-7-8-13(14)9-10-15-12(4-2)11-13/h12H,3-11H2,1-2H3
InChIKeyYQPYVZQSOIPILI-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.69
Rot. Bonds6

About 2-ethyl-4-hexyl-4-oxidomorpholin-4-ium

2-ethyl-4-hexyl-4-oxidomorpholin-4-ium (PubChem CID 155144383) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-ethyl-4-hexyl-4-oxidomorpholin-4-ium.

Molecular Properties

Compound Name2-ethyl-4-hexyl-4-oxidomorpholin-4-ium
PubChem CID155144383
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-ethyl-4-hexyl-4-oxidomorpholin-4-ium
SMILESCCCCCC[N+]1([O-])CCOC(CC)C1
InChIInChI=1S/C12H25NO2/c1-3-5-6-7-8-13(14)9-10-15-12(4-2)11-13/h12H,3-11H2,1-2H3
InChIKeyYQPYVZQSOIPILI-UHFFFAOYSA-N
XLogP2.69
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.69
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

2-hexyl-4-methyl-4-oxidomorpholin-4-ium
CID 155144376
1-(2-methyl-4-oxidomorpholin-4-ium-4-yl)hexadecan-2-ol
CID 54152059
1-heptyl-1-oxidopiperazin-1-ium
CID 56612232
4-dodecyl-2-ethylmorpholine
CID 4616518
ethane;2-ethyloxirane;hexane
CID 91113410
2-octadecyloxetane
CID 168986267
1,4-dioxane;tetradecane
CID 159034856
2-pentadecyl-1,4-dioxane
CID 150124188
4-dodecyl-4-hexylmorpholin-4-ium
CID 158333828
2-hexadecyloxirane;oxirane
CID 175319175
1,1-didecylaziridin-1-ium
CID 87392693
2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane
CID 122553688

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hexyl-4-oxidomorpholin-4-ium?
The IUPAC name of 2-ethyl-4-hexyl-4-oxidomorpholin-4-ium (CID 155144383) is 2-ethyl-4-hexyl-4-oxidomorpholin-4-ium.
What is the SMILES notation for 2-ethyl-4-hexyl-4-oxidomorpholin-4-ium?
The canonical SMILES for 2-ethyl-4-hexyl-4-oxidomorpholin-4-ium is CCCCCC[N+]1([O-])CCOC(CC)C1.
What is the InChIKey of 2-ethyl-4-hexyl-4-oxidomorpholin-4-ium?
The InChIKey is YQPYVZQSOIPILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-5-6-7-8-13(14)9-10-15-12(4-2)11-13/h12H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-4-hexyl-4-oxidomorpholin-4-ium?
2-ethyl-4-hexyl-4-oxidomorpholin-4-ium has a molecular weight of 215.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hexyl-4-oxidomorpholin-4-ium is sourced from PubChem (CID 155144383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).