cyclopenta-1,3-diene;iron(2+);tributyl(cyclopenta-2,4-dien-1-yl)stannane

C22H36FeSn — CID 15963367

IUPACcyclopenta-1,3-diene;iron(2+);tributyl(cyclopenta-2,4-dien-1-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C5H5.C5H4.3C4H9.Fe.Sn/c2*1-2-4-5-3-1;3*1-3-4-2;;/h1-5H;1-4H;3*1,3-4H2,2H3;;/q2*-1;;;;+2;
InChIKeyINYNHAVBRMGGSH-UHFFFAOYSA-N
MW475.09 g/mol
LogP6.86
Rot. Bonds10

About cyclopenta-1,3-diene;iron(2+);tributyl(cyclopenta-2,4-dien-1-yl)stannane

cyclopenta-1,3-diene;iron(2+);tributyl(cyclopenta-2,4-dien-1-yl)stannane (PubChem CID 15963367) has the molecular formula C22H36FeSn and a molecular weight of 475.09 g/mol. Its IUPAC name is cyclopenta-1,3-diene;iron(2+);tributyl(cyclopenta-2,4-dien-1-yl)stannane.

Molecular Properties

Compound Namecyclopenta-1,3-diene;iron(2+);tributyl(cyclopenta-2,4-dien-1-yl)stannane
PubChem CID15963367
Molecular FormulaC22H36FeSn
Molecular Weight475.09 g/mol
Exact Mass476.12
IUPAC Namecyclopenta-1,3-diene;iron(2+);tributyl(cyclopenta-2,4-dien-1-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C5H5.C5H4.3C4H9.Fe.Sn/c2*1-2-4-5-3-1;3*1-3-4-2;;/h1-5H;1-4H;3*1,3-4H2,2H3;;/q2*-1;;;;+2;
InChIKeyINYNHAVBRMGGSH-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.09
LogP ≤ 56.86
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+);tributyl(cyclopenta-2,4-dien-1-yl)stannane?
The IUPAC name of cyclopenta-1,3-diene;iron(2+);tributyl(cyclopenta-2,4-dien-1-yl)stannane (CID 15963367) is cyclopenta-1,3-diene;iron(2+);tributyl(cyclopenta-2,4-dien-1-yl)stannane.
What is the SMILES notation for cyclopenta-1,3-diene;iron(2+);tributyl(cyclopenta-2,4-dien-1-yl)stannane?
The canonical SMILES for cyclopenta-1,3-diene;iron(2+);tributyl(cyclopenta-2,4-dien-1-yl)stannane is CCCC[Sn](CCCC)(CCCC)[c-]1cccc1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;iron(2+);tributyl(cyclopenta-2,4-dien-1-yl)stannane?
The InChIKey is INYNHAVBRMGGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C5H4.3C4H9.Fe.Sn/c2*1-2-4-5-3-1;3*1-3-4-2;;/h1-5H;1-4H;3*1,3-4H2,2H3;;/q2*-1;;;;+2;.
What are the key properties of cyclopenta-1,3-diene;iron(2+);tributyl(cyclopenta-2,4-dien-1-yl)stannane?
cyclopenta-1,3-diene;iron(2+);tributyl(cyclopenta-2,4-dien-1-yl)stannane has a molecular weight of 475.09 g/mol, XLogP of 6.86, 10 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+);tributyl(cyclopenta-2,4-dien-1-yl)stannane is sourced from PubChem (CID 15963367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).