iron(2+);bis(nonanoate)

C18H34FeO4 — CID 90001894

IUPACiron(2+);bis(nonanoate)
SMILESCCCCCCCCC(=O)[O-].CCCCCCCCC(=O)[O-].[Fe+2]
InChIInChI=1S/2C9H18O2.Fe/c2*1-2-3-4-5-6-7-8-9(10)11;/h2*2-8H2,1H3,(H,10,11);/q;;+2/p-2
InChIKeyUTCGLBIPYDLKNF-UHFFFAOYSA-L
MW370.31 g/mol
LogP2.97
Rot. Bonds14

About iron(2+);bis(nonanoate)

iron(2+);bis(nonanoate) (PubChem CID 90001894) has the molecular formula C18H34FeO4 and a molecular weight of 370.31 g/mol. Its IUPAC name is iron(2+);bis(nonanoate).

Molecular Properties

Compound Nameiron(2+);bis(nonanoate)
PubChem CID90001894
Molecular FormulaC18H34FeO4
Molecular Weight370.31 g/mol
Exact Mass370.18
IUPAC Nameiron(2+);bis(nonanoate)
SMILESCCCCCCCCC(=O)[O-].CCCCCCCCC(=O)[O-].[Fe+2]
InChIInChI=1S/2C9H18O2.Fe/c2*1-2-3-4-5-6-7-8-9(10)11;/h2*2-8H2,1H3,(H,10,11);/q;;+2/p-2
InChIKeyUTCGLBIPYDLKNF-UHFFFAOYSA-L
XLogP2.97
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

bis(hexadecanoate);iron(2+)
CID 56842415
bis(decanoate);iron(2+)
CID 22404555
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
decanoate;lanthanum(3+)
CID 21139452
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554

Frequently Asked Questions

What is the IUPAC name of iron(2+);bis(nonanoate)?
The IUPAC name of iron(2+);bis(nonanoate) (CID 90001894) is iron(2+);bis(nonanoate).
What is the SMILES notation for iron(2+);bis(nonanoate)?
The canonical SMILES for iron(2+);bis(nonanoate) is CCCCCCCCC(=O)[O-].CCCCCCCCC(=O)[O-].[Fe+2].
What is the InChIKey of iron(2+);bis(nonanoate)?
The InChIKey is UTCGLBIPYDLKNF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H18O2.Fe/c2*1-2-3-4-5-6-7-8-9(10)11;/h2*2-8H2,1H3,(H,10,11);/q;;+2/p-2.
What are the key properties of iron(2+);bis(nonanoate)?
iron(2+);bis(nonanoate) has a molecular weight of 370.31 g/mol, XLogP of 2.97, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);bis(nonanoate) is sourced from PubChem (CID 90001894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).