copper;iron;(Z)-octadec-9-enoic acid

C18H34CuFeO2 — CID 174924347

IUPACcopper;iron;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.[Cu].[Fe]
InChIInChI=1S/C18H34O2.Cu.Fe/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);;/b10-9-;;
InChIKeyMUDHLANEMFYNGE-XXAVUKJNSA-N
MW401.86 g/mol
LogP6.10
Rot. Bonds15

About copper;iron;(Z)-octadec-9-enoic acid

copper;iron;(Z)-octadec-9-enoic acid (PubChem CID 174924347) has the molecular formula C18H34CuFeO2 and a molecular weight of 401.86 g/mol. Its IUPAC name is copper;iron;(Z)-octadec-9-enoic acid.

Molecular Properties

Compound Namecopper;iron;(Z)-octadec-9-enoic acid
PubChem CID174924347
Molecular FormulaC18H34CuFeO2
Molecular Weight401.86 g/mol
Exact Mass401.12
IUPAC Namecopper;iron;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.[Cu].[Fe]
InChIInChI=1S/C18H34O2.Cu.Fe/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);;/b10-9-;;
InChIKeyMUDHLANEMFYNGE-XXAVUKJNSA-N
XLogP6.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.86
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

copper;(Z)-docos-13-enoic acid
CID 174615859
cobalt;iron;(Z)-octadec-9-enoic acid
CID 87212022
triacont-6-enoic acid
CID 169276816
(E)-hexadec-8-enoic acid
CID 6430788
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832

Frequently Asked Questions

What is the IUPAC name of copper;iron;(Z)-octadec-9-enoic acid?
The IUPAC name of copper;iron;(Z)-octadec-9-enoic acid (CID 174924347) is copper;iron;(Z)-octadec-9-enoic acid.
What is the SMILES notation for copper;iron;(Z)-octadec-9-enoic acid?
The canonical SMILES for copper;iron;(Z)-octadec-9-enoic acid is CCCCCCCC/C=C\CCCCCCCC(=O)O.[Cu].[Fe].
What is the InChIKey of copper;iron;(Z)-octadec-9-enoic acid?
The InChIKey is MUDHLANEMFYNGE-XXAVUKJNSA-N. The full InChI is InChI=1S/C18H34O2.Cu.Fe/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);;/b10-9-;;.
What are the key properties of copper;iron;(Z)-octadec-9-enoic acid?
copper;iron;(Z)-octadec-9-enoic acid has a molecular weight of 401.86 g/mol, XLogP of 6.10, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper;iron;(Z)-octadec-9-enoic acid is sourced from PubChem (CID 174924347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).