bis(cyclopenta-1,3-diene);4,4-di(cyclopenta-1,3-dien-1-yl)pentan-1-ol;bis(iron(2+))

C25H28Fe2O — CID 158839319

About bis(cyclopenta-1,3-diene);4,4-di(cyclopenta-1,3-dien-1-yl)pentan-1-ol;bis(iron(2+))

bis(cyclopenta-1,3-diene);4,4-di(cyclopenta-1,3-dien-1-yl)pentan-1-ol;bis(iron(2+)) (PubChem CID 158839319) has the molecular formula C25H28Fe2O and a molecular weight of 456.19 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);4,4-di(cyclopenta-1,3-dien-1-yl)pentan-1-ol;bis(iron(2+)).

Molecular Properties

• Compound Name: bis(cyclopenta-1,3-diene);4,4-di(cyclopenta-1,3-dien-1-yl)pentan-1-ol;bis(iron(2+))
• PubChem CID: 158839319
• Molecular Formula: C25H28Fe2O
• Molecular Weight: 456.19 g/mol
• Exact Mass: 456.08
• IUPAC Name: bis(cyclopenta-1,3-diene);4,4-di(cyclopenta-1,3-dien-1-yl)pentan-1-ol;bis(iron(2+))
• SMILES: CC(CCCO)(c1ccc[cH-]1)c1ccc[cH-]1.[Fe+2].[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1
• InChI: InChI=1S/C15H18O.2C5H5.2Fe/c1-15(11-6-12-16,13-7-2-3-8-13)14-9-4-5-10-14;2*1-2-4-5-3-1;;/h2-5,7-10,16H,6,11-12H2,1H3;2*1-5H;;/q-2;2*-1;2*+2
• InChIKey: IYAOSIPIAVCQCH-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.19
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);4,4-di(cyclopenta-1,3-dien-1-yl)pentan-1-ol;bis(iron(2+))?

The IUPAC name of bis(cyclopenta-1,3-diene);4,4-di(cyclopenta-1,3-dien-1-yl)pentan-1-ol;bis(iron(2+)) (CID 158839319) is bis(cyclopenta-1,3-diene);4,4-di(cyclopenta-1,3-dien-1-yl)pentan-1-ol;bis(iron(2+)).

What is the SMILES notation for bis(cyclopenta-1,3-diene);4,4-di(cyclopenta-1,3-dien-1-yl)pentan-1-ol;bis(iron(2+))?

The canonical SMILES for bis(cyclopenta-1,3-diene);4,4-di(cyclopenta-1,3-dien-1-yl)pentan-1-ol;bis(iron(2+)) is CC(CCCO)(c1ccc[cH-]1)c1ccc[cH-]1.[Fe+2].[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1.

What is the InChIKey of bis(cyclopenta-1,3-diene);4,4-di(cyclopenta-1,3-dien-1-yl)pentan-1-ol;bis(iron(2+))?

The InChIKey is IYAOSIPIAVCQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O.2C5H5.2Fe/c1-15(11-6-12-16,13-7-2-3-8-13)14-9-4-5-10-14;2*1-2-4-5-3-1;;/h2-5,7-10,16H,6,11-12H2,1H3;2*1-5H;;/q-2;2*-1;2*+2.

What are the key properties of bis(cyclopenta-1,3-diene);4,4-di(cyclopenta-1,3-dien-1-yl)pentan-1-ol;bis(iron(2+))?

bis(cyclopenta-1,3-diene);4,4-di(cyclopenta-1,3-dien-1-yl)pentan-1-ol;bis(iron(2+)) has a molecular weight of 456.19 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for bis(cyclopenta-1,3-diene);4,4-di(cyclopenta-1,3-dien-1-yl)pentan-1-ol;bis(iron(2+)) is sourced from PubChem (CID 158839319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).