cobalt(3+);tris(pentane-2,4-dione)

C15H21CoO6 — CID 12598445

IUPACcobalt(3+);tris(pentane-2,4-dione)
SMILES[CH2-]C(=O)CC(C)=O.[CH2-]C(=O)CC(C)=O.[CH2-]C(=O)CC(C)=O.[Co+3]
InChIInChI=1S/3C5H7O2.Co/c3*1-4(6)3-5(2)7;/h3*1,3H2,2H3;/q3*-1;+3
InChIKeyFBDONOZOUONJLZ-UHFFFAOYSA-N
MW356.26 g/mol
LogP1.10
Rot. Bonds6

About cobalt(3+);tris(pentane-2,4-dione)

cobalt(3+);tris(pentane-2,4-dione) (PubChem CID 12598445) has the molecular formula C15H21CoO6 and a molecular weight of 356.26 g/mol. Its IUPAC name is cobalt(3+);tris(pentane-2,4-dione).

Molecular Properties

Compound Namecobalt(3+);tris(pentane-2,4-dione)
PubChem CID12598445
Molecular FormulaC15H21CoO6
Molecular Weight356.26 g/mol
Exact Mass356.07
IUPAC Namecobalt(3+);tris(pentane-2,4-dione)
SMILES[CH2-]C(=O)CC(C)=O.[CH2-]C(=O)CC(C)=O.[CH2-]C(=O)CC(C)=O.[Co+3]
InChIInChI=1S/3C5H7O2.Co/c3*1-4(6)3-5(2)7;/h3*1,3H2,2H3;/q3*-1;+3
InChIKeyFBDONOZOUONJLZ-UHFFFAOYSA-N
XLogP1.10
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt(3+);tris(pentane-2,4-dione)?
The IUPAC name of cobalt(3+);tris(pentane-2,4-dione) (CID 12598445) is cobalt(3+);tris(pentane-2,4-dione).
What is the SMILES notation for cobalt(3+);tris(pentane-2,4-dione)?
The canonical SMILES for cobalt(3+);tris(pentane-2,4-dione) is [CH2-]C(=O)CC(C)=O.[CH2-]C(=O)CC(C)=O.[CH2-]C(=O)CC(C)=O.[Co+3].
What is the InChIKey of cobalt(3+);tris(pentane-2,4-dione)?
The InChIKey is FBDONOZOUONJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H7O2.Co/c3*1-4(6)3-5(2)7;/h3*1,3H2,2H3;/q3*-1;+3.
What are the key properties of cobalt(3+);tris(pentane-2,4-dione)?
cobalt(3+);tris(pentane-2,4-dione) has a molecular weight of 356.26 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);tris(pentane-2,4-dione) is sourced from PubChem (CID 12598445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).