cobalt(2+);bis(2,4-dioxo-4-phenylbutanoate)

C20H14CoO8 — CID 175080767

IUPACcobalt(2+);bis(2,4-dioxo-4-phenylbutanoate)
SMILESO=C([O-])C(=O)CC(=O)c1ccccc1.O=C([O-])C(=O)CC(=O)c1ccccc1.[Co+2]
InChIInChI=1S/2C10H8O4.Co/c2*11-8(6-9(12)10(13)14)7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,13,14);/q;;+2/p-2
InChIKeyOBECXIUTEDWOCM-UHFFFAOYSA-L
MW441.26 g/mol
LogP-0.85
Rot. Bonds8

About cobalt(2+);bis(2,4-dioxo-4-phenylbutanoate)

cobalt(2+);bis(2,4-dioxo-4-phenylbutanoate) (PubChem CID 175080767) has the molecular formula C20H14CoO8 and a molecular weight of 441.26 g/mol. Its IUPAC name is cobalt(2+);bis(2,4-dioxo-4-phenylbutanoate).

Molecular Properties

Compound Namecobalt(2+);bis(2,4-dioxo-4-phenylbutanoate)
PubChem CID175080767
Molecular FormulaC20H14CoO8
Molecular Weight441.26 g/mol
Exact Mass441.00
IUPAC Namecobalt(2+);bis(2,4-dioxo-4-phenylbutanoate)
SMILESO=C([O-])C(=O)CC(=O)c1ccccc1.O=C([O-])C(=O)CC(=O)c1ccccc1.[Co+2]
InChIInChI=1S/2C10H8O4.Co/c2*11-8(6-9(12)10(13)14)7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,13,14);/q;;+2/p-2
InChIKeyOBECXIUTEDWOCM-UHFFFAOYSA-L
XLogP-0.85
TPSA148.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.26
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze cobalt(2+);bis(2,4-dioxo-4-phenylbutanoate) 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

chromium(3+);2,4-dioxo-4-phenylbutanoate
CID 172832057
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
chromium(2+);tris(3-oxo-3-phenylpropanoate)
CID 20833080
tetrakis(2,4-dioxo-4-phenylbutanoic acid);zirconium(4+)
CID 175883253
silver 3-oxo-3-phenylpropanoate
CID 86633512
4-methyl-1-phenylpent-4-ene-1,3-dione
CID 15683513
3-oxo-3-phenylpropanoic acid;silver
CID 87120895
(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390
2,4-dioxo-4-phenyl-N-prop-2-enylbutanamide
CID 24834538
N'-(2,4-dioxo-4-phenylbutanoyl)benzohydrazide
CID 4049162
CID 173152165
CID 173152165

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2,4-dioxo-4-phenylbutanoate)?
The IUPAC name of cobalt(2+);bis(2,4-dioxo-4-phenylbutanoate) (CID 175080767) is cobalt(2+);bis(2,4-dioxo-4-phenylbutanoate).
What is the SMILES notation for cobalt(2+);bis(2,4-dioxo-4-phenylbutanoate)?
The canonical SMILES for cobalt(2+);bis(2,4-dioxo-4-phenylbutanoate) is O=C([O-])C(=O)CC(=O)c1ccccc1.O=C([O-])C(=O)CC(=O)c1ccccc1.[Co+2].
What is the InChIKey of cobalt(2+);bis(2,4-dioxo-4-phenylbutanoate)?
The InChIKey is OBECXIUTEDWOCM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8O4.Co/c2*11-8(6-9(12)10(13)14)7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,13,14);/q;;+2/p-2.
What are the key properties of cobalt(2+);bis(2,4-dioxo-4-phenylbutanoate)?
cobalt(2+);bis(2,4-dioxo-4-phenylbutanoate) has a molecular weight of 441.26 g/mol, XLogP of -0.85, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2,4-dioxo-4-phenylbutanoate) is sourced from PubChem (CID 175080767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).