bis(1-cyclopenta-2,4-dien-1-ylidenepent-2-en-1-olate);iron(2+)

C20H22FeO2 — CID 157072709

IUPACbis(1-cyclopenta-2,4-dien-1-ylidenepent-2-en-1-olate);iron(2+)
SMILESCCC=CC([O-])=C1C=CC=C1.CCC=CC([O-])=C1C=CC=C1.[Fe+2]
InChIInChI=1S/2C10H12O.Fe/c2*1-2-3-8-10(11)9-6-4-5-7-9;/h2*3-8,11H,2H2,1H3;/q;;+2/p-2
InChIKeyLWACMCSKBNLFGU-UHFFFAOYSA-L
MW350.24 g/mol
LogP3.38
Rot. Bonds4

About bis(1-cyclopenta-2,4-dien-1-ylidenepent-2-en-1-olate);iron(2+)

bis(1-cyclopenta-2,4-dien-1-ylidenepent-2-en-1-olate);iron(2+) (PubChem CID 157072709) has the molecular formula C20H22FeO2 and a molecular weight of 350.24 g/mol. Its IUPAC name is bis(1-cyclopenta-2,4-dien-1-ylidenepent-2-en-1-olate);iron(2+).

Molecular Properties

Compound Namebis(1-cyclopenta-2,4-dien-1-ylidenepent-2-en-1-olate);iron(2+)
PubChem CID157072709
Molecular FormulaC20H22FeO2
Molecular Weight350.24 g/mol
Exact Mass350.10
IUPAC Namebis(1-cyclopenta-2,4-dien-1-ylidenepent-2-en-1-olate);iron(2+)
SMILESCCC=CC([O-])=C1C=CC=C1.CCC=CC([O-])=C1C=CC=C1.[Fe+2]
InChIInChI=1S/2C10H12O.Fe/c2*1-2-3-8-10(11)9-6-4-5-7-9;/h2*3-8,11H,2H2,1H3;/q;;+2/p-2
InChIKeyLWACMCSKBNLFGU-UHFFFAOYSA-L
XLogP3.38
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1-cyclopenta-2,4-dien-1-ylidenepent-2-en-1-olate);iron(2+)?
The IUPAC name of bis(1-cyclopenta-2,4-dien-1-ylidenepent-2-en-1-olate);iron(2+) (CID 157072709) is bis(1-cyclopenta-2,4-dien-1-ylidenepent-2-en-1-olate);iron(2+).
What is the SMILES notation for bis(1-cyclopenta-2,4-dien-1-ylidenepent-2-en-1-olate);iron(2+)?
The canonical SMILES for bis(1-cyclopenta-2,4-dien-1-ylidenepent-2-en-1-olate);iron(2+) is CCC=CC([O-])=C1C=CC=C1.CCC=CC([O-])=C1C=CC=C1.[Fe+2].
What is the InChIKey of bis(1-cyclopenta-2,4-dien-1-ylidenepent-2-en-1-olate);iron(2+)?
The InChIKey is LWACMCSKBNLFGU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H12O.Fe/c2*1-2-3-8-10(11)9-6-4-5-7-9;/h2*3-8,11H,2H2,1H3;/q;;+2/p-2.
What are the key properties of bis(1-cyclopenta-2,4-dien-1-ylidenepent-2-en-1-olate);iron(2+)?
bis(1-cyclopenta-2,4-dien-1-ylidenepent-2-en-1-olate);iron(2+) has a molecular weight of 350.24 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-cyclopenta-2,4-dien-1-ylidenepent-2-en-1-olate);iron(2+) is sourced from PubChem (CID 157072709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).