cyclopenta-1,3-diene;iron(2+);1-(2-methylbutan-2-yl)cyclopenta-1,3-diene

C15H20Fe — CID 75059444

IUPACcyclopenta-1,3-diene;iron(2+);1-(2-methylbutan-2-yl)cyclopenta-1,3-diene
SMILESCCC(C)(C)c1ccc[cH-]1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C10H15.C5H5.Fe/c1-4-10(2,3)9-7-5-6-8-9;1-2-4-5-3-1;/h5-8H,4H2,1-3H3;1-5H;/q2*-1;+2
InChIKeyLTWPJEXNQDDLLI-UHFFFAOYSA-N
MW256.17 g/mol
LogP4.50
Rot. Bonds2

About cyclopenta-1,3-diene;iron(2+);1-(2-methylbutan-2-yl)cyclopenta-1,3-diene

cyclopenta-1,3-diene;iron(2+);1-(2-methylbutan-2-yl)cyclopenta-1,3-diene (PubChem CID 75059444) has the molecular formula C15H20Fe and a molecular weight of 256.17 g/mol. Its IUPAC name is cyclopenta-1,3-diene;iron(2+);1-(2-methylbutan-2-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;iron(2+);1-(2-methylbutan-2-yl)cyclopenta-1,3-diene
PubChem CID75059444
Molecular FormulaC15H20Fe
Molecular Weight256.17 g/mol
Exact Mass256.09
IUPAC Namecyclopenta-1,3-diene;iron(2+);1-(2-methylbutan-2-yl)cyclopenta-1,3-diene
SMILESCCC(C)(C)c1ccc[cH-]1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C10H15.C5H5.Fe/c1-4-10(2,3)9-7-5-6-8-9;1-2-4-5-3-1;/h5-8H,4H2,1-3H3;1-5H;/q2*-1;+2
InChIKeyLTWPJEXNQDDLLI-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
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-methylbutan-2-yl)cyclopenta-1,3-diene?
The IUPAC name of cyclopenta-1,3-diene;iron(2+);1-(2-methylbutan-2-yl)cyclopenta-1,3-diene (CID 75059444) is cyclopenta-1,3-diene;iron(2+);1-(2-methylbutan-2-yl)cyclopenta-1,3-diene.
What is the SMILES notation for cyclopenta-1,3-diene;iron(2+);1-(2-methylbutan-2-yl)cyclopenta-1,3-diene?
The canonical SMILES for cyclopenta-1,3-diene;iron(2+);1-(2-methylbutan-2-yl)cyclopenta-1,3-diene is CCC(C)(C)c1ccc[cH-]1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;iron(2+);1-(2-methylbutan-2-yl)cyclopenta-1,3-diene?
The InChIKey is LTWPJEXNQDDLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.C5H5.Fe/c1-4-10(2,3)9-7-5-6-8-9;1-2-4-5-3-1;/h5-8H,4H2,1-3H3;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;iron(2+);1-(2-methylbutan-2-yl)cyclopenta-1,3-diene?
cyclopenta-1,3-diene;iron(2+);1-(2-methylbutan-2-yl)cyclopenta-1,3-diene has a molecular weight of 256.17 g/mol, XLogP of 4.50, 2 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-methylbutan-2-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 75059444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).