iron;octadecanoic acid;zinc

C18H36Fe2O2Zn2 — CID 173220720

IUPACiron;octadecanoic acid;zinc
SMILESCCCCCCCCCCCCCCCCCC(=O)O.[Fe].[Fe].[Zn].[Zn]
InChIInChI=1S/C18H36O2.2Fe.2Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;/h2-17H2,1H3,(H,19,20);;;;
InChIKeyDMSAWBVCPPLICR-UHFFFAOYSA-N
MW526.95 g/mol
LogP6.32
Rot. Bonds16

About iron;octadecanoic acid;zinc

iron;octadecanoic acid;zinc (PubChem CID 173220720) has the molecular formula C18H36Fe2O2Zn2 and a molecular weight of 526.95 g/mol. Its IUPAC name is iron;octadecanoic acid;zinc.

Molecular Properties

Compound Nameiron;octadecanoic acid;zinc
PubChem CID173220720
Molecular FormulaC18H36Fe2O2Zn2
Molecular Weight526.95 g/mol
Exact Mass524.00
IUPAC Nameiron;octadecanoic acid;zinc
SMILESCCCCCCCCCCCCCCCCCC(=O)O.[Fe].[Fe].[Zn].[Zn]
InChIInChI=1S/C18H36O2.2Fe.2Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;/h2-17H2,1H3,(H,19,20);;;;
InChIKeyDMSAWBVCPPLICR-UHFFFAOYSA-N
XLogP6.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.95
LogP ≤ 56.32
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'}

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Related Compounds

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CID 163272777
octadecane;octadecanoic acid;zinc
CID 175089240
bis(decanoic acid);zinc
CID 118855949
cobalt;bis(hexadecanoic acid);zinc
CID 173044903
methanol;octadecanoic acid;zinc
CID 163303961
azane;octadecanoic acid;zinc
CID 175418700
cobalt;decanoic acid;iron
CID 175283940
hexakis(octadecanoic acid);zinc;zirconium
CID 138753420
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
bis(decanoic acid);bis(octanoic acid)
CID 160578094

Frequently Asked Questions

What is the IUPAC name of iron;octadecanoic acid;zinc?
The IUPAC name of iron;octadecanoic acid;zinc (CID 173220720) is iron;octadecanoic acid;zinc.
What is the SMILES notation for iron;octadecanoic acid;zinc?
The canonical SMILES for iron;octadecanoic acid;zinc is CCCCCCCCCCCCCCCCCC(=O)O.[Fe].[Fe].[Zn].[Zn].
What is the InChIKey of iron;octadecanoic acid;zinc?
The InChIKey is DMSAWBVCPPLICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.2Fe.2Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;/h2-17H2,1H3,(H,19,20);;;;.
What are the key properties of iron;octadecanoic acid;zinc?
iron;octadecanoic acid;zinc has a molecular weight of 526.95 g/mol, XLogP of 6.32, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iron;octadecanoic acid;zinc is sourced from PubChem (CID 173220720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).