cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(6+)

C12H14FeO+4 — CID 139238382

IUPACcyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(6+)
SMILESCC(O)[c-]1cccc1.[Fe+6].c1cc[cH-]c1
InChIInChI=1S/C7H9O.C5H5.Fe/c1-6(8)7-4-2-3-5-7;1-2-4-5-3-1;/h2-6,8H,1H3;1-5H;/q2*-1;+6
InChIKeyOOKSKHUWWBHJJL-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.86
Rot. Bonds1

About cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(6+)

cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(6+) (PubChem CID 139238382) has the molecular formula C12H14FeO+4 and a molecular weight of 230.09 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(6+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(6+)
PubChem CID139238382
Molecular FormulaC12H14FeO+4
Molecular Weight230.09 g/mol
Exact Mass230.04
IUPAC Namecyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(6+)
SMILESCC(O)[c-]1cccc1.[Fe+6].c1cc[cH-]c1
InChIInChI=1S/C7H9O.C5H5.Fe/c1-6(8)7-4-2-3-5-7;1-2-4-5-3-1;/h2-6,8H,1H3;1-5H;/q2*-1;+6
InChIKeyOOKSKHUWWBHJJL-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(6+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(6+)?
The IUPAC name of cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(6+) (CID 139238382) is cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(6+).
What is the SMILES notation for cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(6+)?
The canonical SMILES for cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(6+) is CC(O)[c-]1cccc1.[Fe+6].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(6+)?
The InChIKey is OOKSKHUWWBHJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O.C5H5.Fe/c1-6(8)7-4-2-3-5-7;1-2-4-5-3-1;/h2-6,8H,1H3;1-5H;/q2*-1;+6.
What are the key properties of cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(6+)?
cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(6+) has a molecular weight of 230.09 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(6+) is sourced from PubChem (CID 139238382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).