5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);bis(iron(2+))

C30H38Fe2 — CID 137209033

IUPAC5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);bis(iron(2+))
SMILESCC(C)(C)C[c-]1cccc1.CC(C)(C)C[c-]1cccc1.[Fe+2].[Fe+2].c1cc[c-](-[c-]2cccc2)c1
InChIInChI=1S/C10H8.2C10H15.2Fe/c1-2-6-9(5-1)10-7-3-4-8-10;2*1-10(2,3)8-9-6-4-5-7-9;;/h1-8H;2*4-7H,8H2,1-3H3;;/q-2;2*-1;2*+2
InChIKeyFFSXVMDNMPHISQ-UHFFFAOYSA-N
MW510.32 g/mol
LogP8.77
Rot. Bonds3

About 5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);bis(iron(2+))

5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);bis(iron(2+)) (PubChem CID 137209033) has the molecular formula C30H38Fe2 and a molecular weight of 510.32 g/mol. Its IUPAC name is 5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);bis(iron(2+)).

Molecular Properties

Compound Name5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);bis(iron(2+))
PubChem CID137209033
Molecular FormulaC30H38Fe2
Molecular Weight510.32 g/mol
Exact Mass510.17
IUPAC Name5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);bis(iron(2+))
SMILESCC(C)(C)C[c-]1cccc1.CC(C)(C)C[c-]1cccc1.[Fe+2].[Fe+2].c1cc[c-](-[c-]2cccc2)c1
InChIInChI=1S/C10H8.2C10H15.2Fe/c1-2-6-9(5-1)10-7-3-4-8-10;2*1-10(2,3)8-9-6-4-5-7-9;;/h1-8H;2*4-7H,8H2,1-3H3;;/q-2;2*-1;2*+2
InChIKeyFFSXVMDNMPHISQ-UHFFFAOYSA-N
XLogP8.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.32
LogP ≤ 58.77
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 5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);bis(iron(2+))?
The IUPAC name of 5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);bis(iron(2+)) (CID 137209033) is 5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);bis(iron(2+)).
What is the SMILES notation for 5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);bis(iron(2+))?
The canonical SMILES for 5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);bis(iron(2+)) is CC(C)(C)C[c-]1cccc1.CC(C)(C)C[c-]1cccc1.[Fe+2].[Fe+2].c1cc[c-](-[c-]2cccc2)c1.
What is the InChIKey of 5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);bis(iron(2+))?
The InChIKey is FFSXVMDNMPHISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C10H15.2Fe/c1-2-6-9(5-1)10-7-3-4-8-10;2*1-10(2,3)8-9-6-4-5-7-9;;/h1-8H;2*4-7H,8H2,1-3H3;;/q-2;2*-1;2*+2.
What are the key properties of 5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);bis(iron(2+))?
5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);bis(iron(2+)) has a molecular weight of 510.32 g/mol, XLogP of 8.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);bis(iron(2+)) is sourced from PubChem (CID 137209033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).