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

C16H22Fe — CID 12977233

IUPACcyclopenta-1,3-diene;5-hexylcyclopenta-1,3-diene;iron(2+)
SMILESCCCCCC[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C11H17.C5H5.Fe/c1-2-3-4-5-8-11-9-6-7-10-11;1-2-4-5-3-1;/h6-7,9-10H,2-5,8H2,1H3;1-5H;/q2*-1;+2
InChIKeySXTLYNQWEKKKEA-UHFFFAOYSA-N
MW270.20 g/mol
LogP4.93
Rot. Bonds5

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

cyclopenta-1,3-diene;5-hexylcyclopenta-1,3-diene;iron(2+) (PubChem CID 12977233) has the molecular formula C16H22Fe and a molecular weight of 270.20 g/mol. Its IUPAC name is cyclopenta-1,3-diene;5-hexylcyclopenta-1,3-diene;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;5-hexylcyclopenta-1,3-diene;iron(2+)
PubChem CID12977233
Molecular FormulaC16H22Fe
Molecular Weight270.20 g/mol
Exact Mass270.11
IUPAC Namecyclopenta-1,3-diene;5-hexylcyclopenta-1,3-diene;iron(2+)
SMILESCCCCCC[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C11H17.C5H5.Fe/c1-2-3-4-5-8-11-9-6-7-10-11;1-2-4-5-3-1;/h6-7,9-10H,2-5,8H2,1H3;1-5H;/q2*-1;+2
InChIKeySXTLYNQWEKKKEA-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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;5-hexylcyclopenta-1,3-diene;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;5-hexylcyclopenta-1,3-diene;iron(2+) (CID 12977233) is cyclopenta-1,3-diene;5-hexylcyclopenta-1,3-diene;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;5-hexylcyclopenta-1,3-diene;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;5-hexylcyclopenta-1,3-diene;iron(2+) is CCCCCC[c-]1cccc1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;5-hexylcyclopenta-1,3-diene;iron(2+)?
The InChIKey is SXTLYNQWEKKKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17.C5H5.Fe/c1-2-3-4-5-8-11-9-6-7-10-11;1-2-4-5-3-1;/h6-7,9-10H,2-5,8H2,1H3;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;5-hexylcyclopenta-1,3-diene;iron(2+)?
cyclopenta-1,3-diene;5-hexylcyclopenta-1,3-diene;iron(2+) has a molecular weight of 270.20 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;5-hexylcyclopenta-1,3-diene;iron(2+) is sourced from PubChem (CID 12977233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).