morpholine;(Z)-octadec-9-enoic acid

C22H43NO3 — CID 20838052

IUPACmorpholine;(Z)-octadec-9-enoic acid
SMILESC1COCCN1.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
LogP5.71
Rot. Bonds15

About morpholine;(Z)-octadec-9-enoic acid

morpholine;(Z)-octadec-9-enoic acid (PubChem CID 20838052) has the molecular formula C22H43NO3 and a molecular weight of 369.59 g/mol. Its IUPAC name is morpholine;(Z)-octadec-9-enoic acid.

Molecular Properties

Compound Namemorpholine;(Z)-octadec-9-enoic acid
PubChem CID20838052
Molecular FormulaC22H43NO3
Molecular Weight369.59 g/mol
Exact Mass369.32
IUPAC Namemorpholine;(Z)-octadec-9-enoic acid
SMILESC1COCCN1.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
XLogP5.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.59
LogP ≤ 55.71
H-Bond Donors ≤ 52
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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Related Compounds

Diethanolamine oleate
CID 6433588
Diethanolammonium linoleate
CID 6441885
9-Octadecenoic acid (9Z)-, compd. with N-ethylethanamine (1:1)
CID 6441406
9-Octadecenoic acid (9Z)-, compd. with 1,1'-iminobis(2-propanol) (1:1)
CID 6441596
9-Octadecenoic acid (9Z)-, reaction products with 2-[(2-aminoethyl)amino]ethanol
CID 6441827
9-Octadecenoic acid (9Z)-, 2-[(2-hydroxyethyl)amino]ethyl ester
CID 6436847
2-(2-Hydroxyethylamino)ethanol;octadec-9-enoic acid
CID 26355
9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-, compd. with morpholine (1:1)
CID 6437429
9-Hexadecenoic acid, (9Z)-, compd. with 2,2'-iminobis[ethanol] (1:1)
CID 6442130
18-(2-Hydroxyethylamino)octadec-9-enoic acid
CID 53935569
morpholin-4-ium;(Z)-octadec-9-enoate
CID 67914101
morpholin-2-yl (Z)-octadec-9-enoate
CID 129703515

Frequently Asked Questions

What is the IUPAC name of morpholine;(Z)-octadec-9-enoic acid?
The IUPAC name of morpholine;(Z)-octadec-9-enoic acid (CID 20838052) is morpholine;(Z)-octadec-9-enoic acid.
What is the SMILES notation for morpholine;(Z)-octadec-9-enoic acid?
The canonical SMILES for morpholine;(Z)-octadec-9-enoic acid is C1COCCN1.CCCCCCCC/C=C\CCCCCCCC(=O)O.
What is the InChIKey of morpholine;(Z)-octadec-9-enoic acid?
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 morpholine;(Z)-octadec-9-enoic acid?
morpholine;(Z)-octadec-9-enoic acid has a molecular weight of 369.59 g/mol, XLogP of 5.71, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;(Z)-octadec-9-enoic acid is sourced from PubChem (CID 20838052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).