4-dodecyl-4-hexylmorpholin-4-ium

C22H46NO+ — CID 158333828

IUPAC4-dodecyl-4-hexylmorpholin-4-ium
SMILESCCCCCCCCCCCC[N+]1(CCCCCC)CCOCC1
InChIInChI=1S/C22H46NO/c1-3-5-7-9-10-11-12-13-14-16-18-23(17-15-8-6-4-2)19-21-24-22-20-23/h3-22H2,1-2H3/q+1
InChIKeyPDYRAKGAOAUUEZ-UHFFFAOYSA-N
MW340.62 g/mol
LogP6.33
Rot. Bonds16

About 4-dodecyl-4-hexylmorpholin-4-ium

4-dodecyl-4-hexylmorpholin-4-ium (PubChem CID 158333828) has the molecular formula C22H46NO+ and a molecular weight of 340.62 g/mol. Its IUPAC name is 4-dodecyl-4-hexylmorpholin-4-ium.

Molecular Properties

Compound Name4-dodecyl-4-hexylmorpholin-4-ium
PubChem CID158333828
Molecular FormulaC22H46NO+
Molecular Weight340.62 g/mol
Exact Mass340.36
IUPAC Name4-dodecyl-4-hexylmorpholin-4-ium
SMILESCCCCCCCCCCCC[N+]1(CCCCCC)CCOCC1
InChIInChI=1S/C22H46NO/c1-3-5-7-9-10-11-12-13-14-16-18-23(17-15-8-6-4-2)19-21-24-22-20-23/h3-22H2,1-2H3/q+1
InChIKeyPDYRAKGAOAUUEZ-UHFFFAOYSA-N
XLogP6.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1,1-didecylaziridin-1-ium
CID 87392693
2-(4-hexadecylmorpholin-4-ium-4-yl)acetic acid
CID 58880786
4-(3-iodoprop-2-ynyl)-4-octylmorpholin-4-ium
CID 19593236
4-hexyl-4-methylmorpholin-4-ium hydroxide
CID 15768567
1-hexadecyl-1-pentadecylpyrrolidin-1-ium
CID 69388333
1-heptadecyl-1-octadecylpyrrolidin-1-ium
CID 69389776
1-heptyl-1-undecylpyrrolidin-1-ium
CID 69393872
1-octadecyl-1-[4-(1-octadecylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium
CID 122216104
1-nonadecyl-1-octadecylpyrrolidin-1-ium
CID 69388372
1-dodecyl-1-pentylpyrrolidin-1-ium
CID 69392906
1,1-di(nonadecyl)pyrrolidin-1-ium
CID 69397839
1-dodecyl-1-[6-(1-dodecylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
CID 102527529

Frequently Asked Questions

What is the IUPAC name of 4-dodecyl-4-hexylmorpholin-4-ium?
The IUPAC name of 4-dodecyl-4-hexylmorpholin-4-ium (CID 158333828) is 4-dodecyl-4-hexylmorpholin-4-ium.
What is the SMILES notation for 4-dodecyl-4-hexylmorpholin-4-ium?
The canonical SMILES for 4-dodecyl-4-hexylmorpholin-4-ium is CCCCCCCCCCCC[N+]1(CCCCCC)CCOCC1.
What is the InChIKey of 4-dodecyl-4-hexylmorpholin-4-ium?
The InChIKey is PDYRAKGAOAUUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46NO/c1-3-5-7-9-10-11-12-13-14-16-18-23(17-15-8-6-4-2)19-21-24-22-20-23/h3-22H2,1-2H3/q+1.
What are the key properties of 4-dodecyl-4-hexylmorpholin-4-ium?
4-dodecyl-4-hexylmorpholin-4-ium has a molecular weight of 340.62 g/mol, XLogP of 6.33, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecyl-4-hexylmorpholin-4-ium is sourced from PubChem (CID 158333828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).