4-[(Z)-octadec-9-enyl]morpholine;hydrochloride

C22H44ClNO — CID 54607381

IUPAC4-[(Z)-octadec-9-enyl]morpholine;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCCN1CCOCC1.Cl
InChIInChI=1S/C22H43NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24-22-20-23;/h9-10H,2-8,11-22H2,1H3;1H/b10-9-;
InChIKeyDAUKSTNDZMLJGG-KVVVOXFISA-N
MW374.05 g/mol
LogP6.78
Rot. Bonds16

About 4-[(Z)-octadec-9-enyl]morpholine;hydrochloride

4-[(Z)-octadec-9-enyl]morpholine;hydrochloride (PubChem CID 54607381) has the molecular formula C22H44ClNO and a molecular weight of 374.05 g/mol. Its IUPAC name is 4-[(Z)-octadec-9-enyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(Z)-octadec-9-enyl]morpholine;hydrochloride
PubChem CID54607381
Molecular FormulaC22H44ClNO
Molecular Weight374.05 g/mol
Exact Mass373.31
IUPAC Name4-[(Z)-octadec-9-enyl]morpholine;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCCN1CCOCC1.Cl
InChIInChI=1S/C22H43NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24-22-20-23;/h9-10H,2-8,11-22H2,1H3;1H/b10-9-;
InChIKeyDAUKSTNDZMLJGG-KVVVOXFISA-N
XLogP6.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.05
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-octadec-9-enyl]morpholine;hydrochloride?
The IUPAC name of 4-[(Z)-octadec-9-enyl]morpholine;hydrochloride (CID 54607381) is 4-[(Z)-octadec-9-enyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(Z)-octadec-9-enyl]morpholine;hydrochloride?
The canonical SMILES for 4-[(Z)-octadec-9-enyl]morpholine;hydrochloride is CCCCCCCC/C=C\CCCCCCCCN1CCOCC1.Cl.
What is the InChIKey of 4-[(Z)-octadec-9-enyl]morpholine;hydrochloride?
The InChIKey is DAUKSTNDZMLJGG-KVVVOXFISA-N. The full InChI is InChI=1S/C22H43NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24-22-20-23;/h9-10H,2-8,11-22H2,1H3;1H/b10-9-;.
What are the key properties of 4-[(Z)-octadec-9-enyl]morpholine;hydrochloride?
4-[(Z)-octadec-9-enyl]morpholine;hydrochloride has a molecular weight of 374.05 g/mol, XLogP of 6.78, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-octadec-9-enyl]morpholine;hydrochloride is sourced from PubChem (CID 54607381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).