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

C17H24Fe — CID 12977234

IUPACcyclopenta-1,3-diene;5-heptylcyclopenta-1,3-diene;iron(2+)
SMILESCCCCCCC[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C12H19.C5H5.Fe/c1-2-3-4-5-6-9-12-10-7-8-11-12;1-2-4-5-3-1;/h7-8,10-11H,2-6,9H2,1H3;1-5H;/q2*-1;+2
InChIKeyLJVRVEBUNSGZDS-UHFFFAOYSA-N
MW284.22 g/mol
LogP5.32
Rot. Bonds6

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

cyclopenta-1,3-diene;5-heptylcyclopenta-1,3-diene;iron(2+) (PubChem CID 12977234) has the molecular formula C17H24Fe and a molecular weight of 284.22 g/mol. Its IUPAC name is cyclopenta-1,3-diene;5-heptylcyclopenta-1,3-diene;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;5-heptylcyclopenta-1,3-diene;iron(2+)
PubChem CID12977234
Molecular FormulaC17H24Fe
Molecular Weight284.22 g/mol
Exact Mass284.12
IUPAC Namecyclopenta-1,3-diene;5-heptylcyclopenta-1,3-diene;iron(2+)
SMILESCCCCCCC[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C12H19.C5H5.Fe/c1-2-3-4-5-6-9-12-10-7-8-11-12;1-2-4-5-3-1;/h7-8,10-11H,2-6,9H2,1H3;1-5H;/q2*-1;+2
InChIKeyLJVRVEBUNSGZDS-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.22
LogP ≤ 55.32
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-heptylcyclopenta-1,3-diene;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;5-heptylcyclopenta-1,3-diene;iron(2+) (CID 12977234) is cyclopenta-1,3-diene;5-heptylcyclopenta-1,3-diene;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;5-heptylcyclopenta-1,3-diene;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;5-heptylcyclopenta-1,3-diene;iron(2+) is CCCCCCC[c-]1cccc1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;5-heptylcyclopenta-1,3-diene;iron(2+)?
The InChIKey is LJVRVEBUNSGZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19.C5H5.Fe/c1-2-3-4-5-6-9-12-10-7-8-11-12;1-2-4-5-3-1;/h7-8,10-11H,2-6,9H2,1H3;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;5-heptylcyclopenta-1,3-diene;iron(2+)?
cyclopenta-1,3-diene;5-heptylcyclopenta-1,3-diene;iron(2+) has a molecular weight of 284.22 g/mol, XLogP of 5.32, 6 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-heptylcyclopenta-1,3-diene;iron(2+) is sourced from PubChem (CID 12977234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).