cyclopenta-1,3-diene;iron(2+);1,2,4,5-tetraethylcyclopenta-1,3-diene

C18H26Fe — CID 162263056

IUPACcyclopenta-1,3-diene;iron(2+);1,2,4,5-tetraethylcyclopenta-1,3-diene
SMILESCCc1cc(CC)[c-](CC)c1CC.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C13H21.C5H5.Fe/c1-5-10-9-11(6-2)13(8-4)12(10)7-3;1-2-4-5-3-1;/h9H,5-8H2,1-4H3;1-5H;/q2*-1;+2
InChIKeyZZNBAGXFPIWOEJ-UHFFFAOYSA-N
MW298.25 g/mol
LogP5.06
Rot. Bonds4

About cyclopenta-1,3-diene;iron(2+);1,2,4,5-tetraethylcyclopenta-1,3-diene

cyclopenta-1,3-diene;iron(2+);1,2,4,5-tetraethylcyclopenta-1,3-diene (PubChem CID 162263056) has the molecular formula C18H26Fe and a molecular weight of 298.25 g/mol. Its IUPAC name is cyclopenta-1,3-diene;iron(2+);1,2,4,5-tetraethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;iron(2+);1,2,4,5-tetraethylcyclopenta-1,3-diene
PubChem CID162263056
Molecular FormulaC18H26Fe
Molecular Weight298.25 g/mol
Exact Mass298.14
IUPAC Namecyclopenta-1,3-diene;iron(2+);1,2,4,5-tetraethylcyclopenta-1,3-diene
SMILESCCc1cc(CC)[c-](CC)c1CC.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C13H21.C5H5.Fe/c1-5-10-9-11(6-2)13(8-4)12(10)7-3;1-2-4-5-3-1;/h9H,5-8H2,1-4H3;1-5H;/q2*-1;+2
InChIKeyZZNBAGXFPIWOEJ-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.25
LogP ≤ 55.06
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+);1,2,4,5-tetraethylcyclopenta-1,3-diene?
The IUPAC name of cyclopenta-1,3-diene;iron(2+);1,2,4,5-tetraethylcyclopenta-1,3-diene (CID 162263056) is cyclopenta-1,3-diene;iron(2+);1,2,4,5-tetraethylcyclopenta-1,3-diene.
What is the SMILES notation for cyclopenta-1,3-diene;iron(2+);1,2,4,5-tetraethylcyclopenta-1,3-diene?
The canonical SMILES for cyclopenta-1,3-diene;iron(2+);1,2,4,5-tetraethylcyclopenta-1,3-diene is CCc1cc(CC)[c-](CC)c1CC.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;iron(2+);1,2,4,5-tetraethylcyclopenta-1,3-diene?
The InChIKey is ZZNBAGXFPIWOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21.C5H5.Fe/c1-5-10-9-11(6-2)13(8-4)12(10)7-3;1-2-4-5-3-1;/h9H,5-8H2,1-4H3;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;iron(2+);1,2,4,5-tetraethylcyclopenta-1,3-diene?
cyclopenta-1,3-diene;iron(2+);1,2,4,5-tetraethylcyclopenta-1,3-diene has a molecular weight of 298.25 g/mol, XLogP of 5.06, 4 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+);1,2,4,5-tetraethylcyclopenta-1,3-diene is sourced from PubChem (CID 162263056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).