bis(hexadecanoate);iron(2+)

C32H62FeO4 — CID 56842415

IUPACbis(hexadecanoate);iron(2+)
SMILESCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Fe+2]
InChIInChI=1S/2C16H32O2.Fe/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2
InChIKeyYNQVTHFOJBTQHC-UHFFFAOYSA-L
MW566.69 g/mol
LogP8.43
Rot. Bonds28

About bis(hexadecanoate);iron(2+)

bis(hexadecanoate);iron(2+) (PubChem CID 56842415) has the molecular formula C32H62FeO4 and a molecular weight of 566.69 g/mol. Its IUPAC name is bis(hexadecanoate);iron(2+).

Molecular Properties

Compound Namebis(hexadecanoate);iron(2+)
PubChem CID56842415
Molecular FormulaC32H62FeO4
Molecular Weight566.69 g/mol
Exact Mass566.40
IUPAC Namebis(hexadecanoate);iron(2+)
SMILESCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Fe+2]
InChIInChI=1S/2C16H32O2.Fe/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2
InChIKeyYNQVTHFOJBTQHC-UHFFFAOYSA-L
XLogP8.43
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.69
LogP ≤ 58.43
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

iron(2+);bis(nonanoate)
CID 90001894
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 bis(hexadecanoate);iron(2+)?
The IUPAC name of bis(hexadecanoate);iron(2+) (CID 56842415) is bis(hexadecanoate);iron(2+).
What is the SMILES notation for bis(hexadecanoate);iron(2+)?
The canonical SMILES for bis(hexadecanoate);iron(2+) is CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Fe+2].
What is the InChIKey of bis(hexadecanoate);iron(2+)?
The InChIKey is YNQVTHFOJBTQHC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H32O2.Fe/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2.
What are the key properties of bis(hexadecanoate);iron(2+)?
bis(hexadecanoate);iron(2+) has a molecular weight of 566.69 g/mol, XLogP of 8.43, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hexadecanoate);iron(2+) is sourced from PubChem (CID 56842415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).