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

C12H10CoO4 — CID 157122316

IUPACcobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate)
SMILES[Co+2].[O-]C(O)=C1C=CC=C1.[O-]C(O)=C1C=CC=C1
InChIInChI=1S/2C6H6O2.Co/c2*7-6(8)5-3-1-2-4-5;/h2*1-4,7-8H;/q;;+2/p-2
InChIKeyLQJUZJFFWJPRQN-UHFFFAOYSA-L
MW277.14 g/mol
LogP0.48
Rot. Bonds

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

cobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate) (PubChem CID 157122316) has the molecular formula C12H10CoO4 and a molecular weight of 277.14 g/mol. Its IUPAC name is cobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate).

Molecular Properties

Compound Namecobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate)
PubChem CID157122316
Molecular FormulaC12H10CoO4
Molecular Weight277.14 g/mol
Exact Mass276.99
IUPAC Namecobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate)
SMILES[Co+2].[O-]C(O)=C1C=CC=C1.[O-]C(O)=C1C=CC=C1
InChIInChI=1S/2C6H6O2.Co/c2*7-6(8)5-3-1-2-4-5;/h2*1-4,7-8H;/q;;+2/p-2
InChIKeyLQJUZJFFWJPRQN-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 ≤ 500277.14
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'}

Analyze cobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate) with MolForge

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

Launch Full Analysis

Related Compounds

bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron
CID 171395328
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 cobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate)?
The IUPAC name of cobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate) (CID 157122316) is cobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate).
What is the SMILES notation for cobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate)?
The canonical SMILES for cobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate) is [Co+2].[O-]C(O)=C1C=CC=C1.[O-]C(O)=C1C=CC=C1.
What is the InChIKey of cobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate)?
The InChIKey is LQJUZJFFWJPRQN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6O2.Co/c2*7-6(8)5-3-1-2-4-5;/h2*1-4,7-8H;/q;;+2/p-2.
What are the key properties of cobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate)?
cobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate) has a molecular weight of 277.14 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 cobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate) is sourced from PubChem (CID 157122316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).