cobalt;iron(3+);tris(octadecanoate)

C54H105CoFeO6 — CID 173369159

IUPACcobalt;iron(3+);tris(octadecanoate)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Co].[Fe+3]
InChIInChI=1S/3C18H36O2.Co.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h3*2-17H2,1H3,(H,19,20);;/q;;;;+3/p-3
InChIKeyKVQVKAXHTNUIAY-UHFFFAOYSA-K
MW965.21 g/mol
LogP14.99
Rot. Bonds48

About cobalt;iron(3+);tris(octadecanoate)

cobalt;iron(3+);tris(octadecanoate) (PubChem CID 173369159) has the molecular formula C54H105CoFeO6 and a molecular weight of 965.21 g/mol. Its IUPAC name is cobalt;iron(3+);tris(octadecanoate).

Molecular Properties

Compound Namecobalt;iron(3+);tris(octadecanoate)
PubChem CID173369159
Molecular FormulaC54H105CoFeO6
Molecular Weight965.21 g/mol
Exact Mass964.66
IUPAC Namecobalt;iron(3+);tris(octadecanoate)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Co].[Fe+3]
InChIInChI=1S/3C18H36O2.Co.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h3*2-17H2,1H3,(H,19,20);;/q;;;;+3/p-3
InChIKeyKVQVKAXHTNUIAY-UHFFFAOYSA-K
XLogP14.99
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds48
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.21
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

iron(3+);tris(tridecanoate)
CID 22072700
iron(3+);tris(tricosanoate)
CID 102117240
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554
manganese(2+);bis(tricosanoate)
CID 100951425

Frequently Asked Questions

What is the IUPAC name of cobalt;iron(3+);tris(octadecanoate)?
The IUPAC name of cobalt;iron(3+);tris(octadecanoate) (CID 173369159) is cobalt;iron(3+);tris(octadecanoate).
What is the SMILES notation for cobalt;iron(3+);tris(octadecanoate)?
The canonical SMILES for cobalt;iron(3+);tris(octadecanoate) is CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Co].[Fe+3].
What is the InChIKey of cobalt;iron(3+);tris(octadecanoate)?
The InChIKey is KVQVKAXHTNUIAY-UHFFFAOYSA-K. The full InChI is InChI=1S/3C18H36O2.Co.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h3*2-17H2,1H3,(H,19,20);;/q;;;;+3/p-3.
What are the key properties of cobalt;iron(3+);tris(octadecanoate)?
cobalt;iron(3+);tris(octadecanoate) has a molecular weight of 965.21 g/mol, XLogP of 14.99, 48 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;iron(3+);tris(octadecanoate) is sourced from PubChem (CID 173369159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).