4-methylmorpholine;(Z)-octadec-9-enoic acid

C23H45NO3 — CID 6437233

IUPAC4-methylmorpholine;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.CN1CCOCC1
InChIInChI=1S/C18H34O2.C5H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-6-2-4-7-5-3-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-5H2,1H3/b10-9-;
InChIKeyMSDQEXGSUVJLKG-KVVVOXFISA-N
MW383.62 g/mol
LogP6.06
Rot. Bonds15

About 4-methylmorpholine;(Z)-octadec-9-enoic acid

4-methylmorpholine;(Z)-octadec-9-enoic acid (PubChem CID 6437233) has the molecular formula C23H45NO3 and a molecular weight of 383.62 g/mol. Its IUPAC name is 4-methylmorpholine;(Z)-octadec-9-enoic acid.

Molecular Properties

Compound Name4-methylmorpholine;(Z)-octadec-9-enoic acid
PubChem CID6437233
Molecular FormulaC23H45NO3
Molecular Weight383.62 g/mol
Exact Mass383.34
IUPAC Name4-methylmorpholine;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.CN1CCOCC1
InChIInChI=1S/C18H34O2.C5H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-6-2-4-7-5-3-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-5H2,1H3/b10-9-;
InChIKeyMSDQEXGSUVJLKG-KVVVOXFISA-N
XLogP6.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylmorpholine;(Z)-octadec-9-enoic acid?
The IUPAC name of 4-methylmorpholine;(Z)-octadec-9-enoic acid (CID 6437233) is 4-methylmorpholine;(Z)-octadec-9-enoic acid.
What is the SMILES notation for 4-methylmorpholine;(Z)-octadec-9-enoic acid?
The canonical SMILES for 4-methylmorpholine;(Z)-octadec-9-enoic acid is CCCCCCCC/C=C\CCCCCCCC(=O)O.CN1CCOCC1.
What is the InChIKey of 4-methylmorpholine;(Z)-octadec-9-enoic acid?
The InChIKey is MSDQEXGSUVJLKG-KVVVOXFISA-N. The full InChI is InChI=1S/C18H34O2.C5H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-6-2-4-7-5-3-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-5H2,1H3/b10-9-;.
What are the key properties of 4-methylmorpholine;(Z)-octadec-9-enoic acid?
4-methylmorpholine;(Z)-octadec-9-enoic acid has a molecular weight of 383.62 g/mol, XLogP of 6.06, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholine;(Z)-octadec-9-enoic acid is sourced from PubChem (CID 6437233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).