4-ethyl-4-[(Z)-octadec-9-enyl]morpholin-4-ium

C24H48NO+ — CID 171762815

IUPAC4-ethyl-4-[(Z)-octadec-9-enyl]morpholin-4-ium
SMILESCCCCCCCC/C=C\CCCCCCCC[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/h11-12H,3-10,13-24H2,1-2H3/q+1/b12-11-
InChIKeyTVBFEHPPBZUXAE-QXMHVHEDSA-N
MW366.65 g/mol
LogP6.89
Rot. Bonds17

About 4-ethyl-4-[(Z)-octadec-9-enyl]morpholin-4-ium

4-ethyl-4-[(Z)-octadec-9-enyl]morpholin-4-ium (PubChem CID 171762815) has the molecular formula C24H48NO+ and a molecular weight of 366.65 g/mol. Its IUPAC name is 4-ethyl-4-[(Z)-octadec-9-enyl]morpholin-4-ium.

Molecular Properties

Compound Name4-ethyl-4-[(Z)-octadec-9-enyl]morpholin-4-ium
PubChem CID171762815
Molecular FormulaC24H48NO+
Molecular Weight366.65 g/mol
Exact Mass366.37
IUPAC Name4-ethyl-4-[(Z)-octadec-9-enyl]morpholin-4-ium
SMILESCCCCCCCC/C=C\CCCCCCCC[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/h11-12H,3-10,13-24H2,1-2H3/q+1/b12-11-
InChIKeyTVBFEHPPBZUXAE-QXMHVHEDSA-N
XLogP6.89
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 ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethyl-4-[(Z)-octadec-9-enyl]morpholin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-[(Z)-octadec-9-enyl]morpholin-4-ium?
The IUPAC name of 4-ethyl-4-[(Z)-octadec-9-enyl]morpholin-4-ium (CID 171762815) is 4-ethyl-4-[(Z)-octadec-9-enyl]morpholin-4-ium.
What is the SMILES notation for 4-ethyl-4-[(Z)-octadec-9-enyl]morpholin-4-ium?
The canonical SMILES for 4-ethyl-4-[(Z)-octadec-9-enyl]morpholin-4-ium is CCCCCCCC/C=C\CCCCCCCC[N+]1(CC)CCOCC1.
What is the InChIKey of 4-ethyl-4-[(Z)-octadec-9-enyl]morpholin-4-ium?
The InChIKey is TVBFEHPPBZUXAE-QXMHVHEDSA-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/h11-12H,3-10,13-24H2,1-2H3/q+1/b12-11-.
What are the key properties of 4-ethyl-4-[(Z)-octadec-9-enyl]morpholin-4-ium?
4-ethyl-4-[(Z)-octadec-9-enyl]morpholin-4-ium has a molecular weight of 366.65 g/mol, XLogP of 6.89, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-[(Z)-octadec-9-enyl]morpholin-4-ium is sourced from PubChem (CID 171762815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).