bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron

C12H10FeO4-2 — CID 171395328

IUPACbis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron
SMILES[Fe].[O-]C(O)=C1C=CC=C1.[O-]C(O)=C1C=CC=C1
InChIInChI=1S/2C6H6O2.Fe/c2*7-6(8)5-3-1-2-4-5;/h2*1-4,7-8H;/p-2
InChIKeyMPGFKQFJFGVVBN-UHFFFAOYSA-L
MW274.05 g/mol
LogP0.48
Rot. Bonds

About bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron

bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron (PubChem CID 171395328) has the molecular formula C12H10FeO4-2 and a molecular weight of 274.05 g/mol. Its IUPAC name is bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron.

Molecular Properties

Compound Namebis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron
PubChem CID171395328
Molecular FormulaC12H10FeO4-2
Molecular Weight274.05 g/mol
Exact Mass273.99
IUPAC Namebis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron
SMILES[Fe].[O-]C(O)=C1C=CC=C1.[O-]C(O)=C1C=CC=C1
InChIInChI=1S/2C6H6O2.Fe/c2*7-6(8)5-3-1-2-4-5;/h2*1-4,7-8H;/p-2
InChIKeyMPGFKQFJFGVVBN-UHFFFAOYSA-L
XLogP0.48
TPSA86.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.05
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

cobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate)
CID 157122316
bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+)
CID 158604090
cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate;1-cyclopenta-2,4-dien-1-ylidene-2-oxo-2-phenylethanolate;iron(2+)
CID 159102143
tetrakis(cyclopenta-2,4-dien-1-ylidenemethanediolate);hafnium(4+);bis(iron(2+))
CID 178076225
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+)
CID 175693136
1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate
CID 12725581
carbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese
CID 12618807
5-(difluoromethylidene)cyclopenta-1,3-diene
CID 13428390
1-cyclopenta-2,4-dien-1-ylidene-2-phenylethanolate;cyclopenta-2,4-dien-1-ylidene(phenyl)methanolate;iron(2+)
CID 162009578
2,2-dichloro-1-cyclopenta-2,4-dien-1-ylideneethanol
CID 12723680
bis((E)-1-cyclopenta-2,4-dien-1-ylidene-3-phenylprop-2-en-1-olate);iron(2+)
CID 50922660
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+)
CID 169092793

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron?
The IUPAC name of bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron (CID 171395328) is bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron.
What is the SMILES notation for bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron?
The canonical SMILES for bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron is [Fe].[O-]C(O)=C1C=CC=C1.[O-]C(O)=C1C=CC=C1.
What is the InChIKey of bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron?
The InChIKey is MPGFKQFJFGVVBN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6O2.Fe/c2*7-6(8)5-3-1-2-4-5;/h2*1-4,7-8H;/p-2.
What are the key properties of bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron?
bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron has a molecular weight of 274.05 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron is sourced from PubChem (CID 171395328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).