morpholin-4-ium;(Z)-octadec-9-enoate

C22H43NO3 — CID 67914101

IUPACmorpholin-4-ium;(Z)-octadec-9-enoate
SMILESC1COCC[NH2+]1.CCCCCCCC/C=C\CCCCCCCC(=O)[O-]
InChIInChI=1S/C18H34O2.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-6-4-2-5-1/h9-10H,2-8,11-17H2,1H3,(H,19,20);5H,1-4H2/b10-9-;
InChIKeyOBMBYGXRLQQDHH-KVVVOXFISA-N
MW369.59 g/mol
LogP3.35
Rot. Bonds15

About morpholin-4-ium;(Z)-octadec-9-enoate

morpholin-4-ium;(Z)-octadec-9-enoate (PubChem CID 67914101) has the molecular formula C22H43NO3 and a molecular weight of 369.59 g/mol. Its IUPAC name is morpholin-4-ium;(Z)-octadec-9-enoate.

Molecular Properties

Compound Namemorpholin-4-ium;(Z)-octadec-9-enoate
PubChem CID67914101
Molecular FormulaC22H43NO3
Molecular Weight369.59 g/mol
Exact Mass369.32
IUPAC Namemorpholin-4-ium;(Z)-octadec-9-enoate
SMILESC1COCC[NH2+]1.CCCCCCCC/C=C\CCCCCCCC(=O)[O-]
InChIInChI=1S/C18H34O2.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-6-4-2-5-1/h9-10H,2-8,11-17H2,1H3,(H,19,20);5H,1-4H2/b10-9-;
InChIKeyOBMBYGXRLQQDHH-KVVVOXFISA-N
XLogP3.35
TPSA65.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.59
LogP ≤ 53.35
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 morpholin-4-ium;(Z)-octadec-9-enoate?
The IUPAC name of morpholin-4-ium;(Z)-octadec-9-enoate (CID 67914101) is morpholin-4-ium;(Z)-octadec-9-enoate.
What is the SMILES notation for morpholin-4-ium;(Z)-octadec-9-enoate?
The canonical SMILES for morpholin-4-ium;(Z)-octadec-9-enoate is C1COCC[NH2+]1.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].
What is the InChIKey of morpholin-4-ium;(Z)-octadec-9-enoate?
The InChIKey is OBMBYGXRLQQDHH-KVVVOXFISA-N. The full InChI is InChI=1S/C18H34O2.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-6-4-2-5-1/h9-10H,2-8,11-17H2,1H3,(H,19,20);5H,1-4H2/b10-9-;.
What are the key properties of morpholin-4-ium;(Z)-octadec-9-enoate?
morpholin-4-ium;(Z)-octadec-9-enoate has a molecular weight of 369.59 g/mol, XLogP of 3.35, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ium;(Z)-octadec-9-enoate is sourced from PubChem (CID 67914101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).