cyclopenta-1,3-diene;iron(2+);1,2,5-triethylcyclopenta-1,3-diene

C16H22Fe — CID 162248529

IUPACcyclopenta-1,3-diene;iron(2+);1,2,5-triethylcyclopenta-1,3-diene
SMILESCCc1cc[c-](CC)c1CC.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C11H17.C5H5.Fe/c1-4-9-7-8-10(5-2)11(9)6-3;1-2-4-5-3-1;/h7-8H,4-6H2,1-3H3;1-5H;/q2*-1;+2
InChIKeyZXRAPWGSTOXXOF-UHFFFAOYSA-N
MW270.20 g/mol
LogP4.50
Rot. Bonds3

About cyclopenta-1,3-diene;iron(2+);1,2,5-triethylcyclopenta-1,3-diene

cyclopenta-1,3-diene;iron(2+);1,2,5-triethylcyclopenta-1,3-diene (PubChem CID 162248529) has the molecular formula C16H22Fe and a molecular weight of 270.20 g/mol. Its IUPAC name is cyclopenta-1,3-diene;iron(2+);1,2,5-triethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;iron(2+);1,2,5-triethylcyclopenta-1,3-diene
PubChem CID162248529
Molecular FormulaC16H22Fe
Molecular Weight270.20 g/mol
Exact Mass270.11
IUPAC Namecyclopenta-1,3-diene;iron(2+);1,2,5-triethylcyclopenta-1,3-diene
SMILESCCc1cc[c-](CC)c1CC.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C11H17.C5H5.Fe/c1-4-9-7-8-10(5-2)11(9)6-3;1-2-4-5-3-1;/h7-8H,4-6H2,1-3H3;1-5H;/q2*-1;+2
InChIKeyZXRAPWGSTOXXOF-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;iron(2+);1,2,5-triethylcyclopenta-1,3-diene?
The IUPAC name of cyclopenta-1,3-diene;iron(2+);1,2,5-triethylcyclopenta-1,3-diene (CID 162248529) is cyclopenta-1,3-diene;iron(2+);1,2,5-triethylcyclopenta-1,3-diene.
What is the SMILES notation for cyclopenta-1,3-diene;iron(2+);1,2,5-triethylcyclopenta-1,3-diene?
The canonical SMILES for cyclopenta-1,3-diene;iron(2+);1,2,5-triethylcyclopenta-1,3-diene is CCc1cc[c-](CC)c1CC.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;iron(2+);1,2,5-triethylcyclopenta-1,3-diene?
The InChIKey is ZXRAPWGSTOXXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17.C5H5.Fe/c1-4-9-7-8-10(5-2)11(9)6-3;1-2-4-5-3-1;/h7-8H,4-6H2,1-3H3;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;iron(2+);1,2,5-triethylcyclopenta-1,3-diene?
cyclopenta-1,3-diene;iron(2+);1,2,5-triethylcyclopenta-1,3-diene has a molecular weight of 270.20 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;iron(2+);1,2,5-triethylcyclopenta-1,3-diene is sourced from PubChem (CID 162248529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).