4-ethyl-4-octadec-1-enylmorpholin-4-ium

C24H48NO+ — CID 150624833

IUPAC4-ethyl-4-octadec-1-enylmorpholin-4-ium
SMILESCCCCCCCCCCCCCCCCC=C[N+]1(CC)CCOCC1
InChIInChI=1S/C24H48NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(4-2)21-23-26-24-22-25/h19-20H,3-18,21-24H2,1-2H3/q+1
InChIKeyIWRAMZJAOQQKGZ-UHFFFAOYSA-N
MW366.65 g/mol
LogP7.24
Rot. Bonds17

About 4-ethyl-4-octadec-1-enylmorpholin-4-ium

4-ethyl-4-octadec-1-enylmorpholin-4-ium (PubChem CID 150624833) has the molecular formula C24H48NO+ and a molecular weight of 366.65 g/mol. Its IUPAC name is 4-ethyl-4-octadec-1-enylmorpholin-4-ium.

Molecular Properties

Compound Name4-ethyl-4-octadec-1-enylmorpholin-4-ium
PubChem CID150624833
Molecular FormulaC24H48NO+
Molecular Weight366.65 g/mol
Exact Mass366.37
IUPAC Name4-ethyl-4-octadec-1-enylmorpholin-4-ium
SMILESCCCCCCCCCCCCCCCCC=C[N+]1(CC)CCOCC1
InChIInChI=1S/C24H48NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(4-2)21-23-26-24-22-25/h19-20H,3-18,21-24H2,1-2H3/q+1
InChIKeyIWRAMZJAOQQKGZ-UHFFFAOYSA-N
XLogP7.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.65
LogP ≤ 57.24
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

(4-methylmorpholin-4-ium-4-yl) (Z)-octadec-9-enoate
CID 175488315
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178
hexacont-21-ene
CID 54293076
pentacos-9-ene
CID 25201650
(Z)-heptadec-8-ene
CID 5352243
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
1,4-dioxane;tetradecane
CID 159034856
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-octadec-1-enylmorpholin-4-ium?
The IUPAC name of 4-ethyl-4-octadec-1-enylmorpholin-4-ium (CID 150624833) is 4-ethyl-4-octadec-1-enylmorpholin-4-ium.
What is the SMILES notation for 4-ethyl-4-octadec-1-enylmorpholin-4-ium?
The canonical SMILES for 4-ethyl-4-octadec-1-enylmorpholin-4-ium is CCCCCCCCCCCCCCCCC=C[N+]1(CC)CCOCC1.
What is the InChIKey of 4-ethyl-4-octadec-1-enylmorpholin-4-ium?
The InChIKey is IWRAMZJAOQQKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(4-2)21-23-26-24-22-25/h19-20H,3-18,21-24H2,1-2H3/q+1.
What are the key properties of 4-ethyl-4-octadec-1-enylmorpholin-4-ium?
4-ethyl-4-octadec-1-enylmorpholin-4-ium has a molecular weight of 366.65 g/mol, XLogP of 7.24, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-octadec-1-enylmorpholin-4-ium is sourced from PubChem (CID 150624833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).