cobalt(3+);3-oxobutanoate;bis(propan-2-olate)

C10H19CoO5 — CID 173419525

IUPACcobalt(3+);3-oxobutanoate;bis(propan-2-olate)
SMILESCC(=O)CC(=O)[O-].CC(C)[O-].CC(C)[O-].[Co+3]
InChIInChI=1S/C4H6O3.2C3H7O.Co/c1-3(5)2-4(6)7;2*1-3(2)4;/h2H2,1H3,(H,6,7);2*3H,1-2H3;/q;2*-1;+3/p-1
InChIKeyFVCLJGYIKJAUCI-UHFFFAOYSA-M
MW278.19 g/mol
LogP-1.78
Rot. Bonds2

About cobalt(3+);3-oxobutanoate;bis(propan-2-olate)

cobalt(3+);3-oxobutanoate;bis(propan-2-olate) (PubChem CID 173419525) has the molecular formula C10H19CoO5 and a molecular weight of 278.19 g/mol. Its IUPAC name is cobalt(3+);3-oxobutanoate;bis(propan-2-olate).

Molecular Properties

Compound Namecobalt(3+);3-oxobutanoate;bis(propan-2-olate)
PubChem CID173419525
Molecular FormulaC10H19CoO5
Molecular Weight278.19 g/mol
Exact Mass278.06
IUPAC Namecobalt(3+);3-oxobutanoate;bis(propan-2-olate)
SMILESCC(=O)CC(=O)[O-].CC(C)[O-].CC(C)[O-].[Co+3]
InChIInChI=1S/C4H6O3.2C3H7O.Co/c1-3(5)2-4(6)7;2*1-3(2)4;/h2H2,1H3,(H,6,7);2*3H,1-2H3;/q;2*-1;+3/p-1
InChIKeyFVCLJGYIKJAUCI-UHFFFAOYSA-M
XLogP-1.78
TPSA103.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 5-1.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

barium(2+);bis(3-oxobutanoate)
CID 87577047
hexakis(3-oxobutanoate);tungsten
CID 173116333
nickel(2+);3-oxobutanoate
CID 22242614
tris(3-oxobutanoate);vanadium
CID 14671412
pentakis(3-oxobutanoate);pentakis(oxygen(2-));tris(vanadium)
CID 19008568
diazanium;propan-2-olate;acetate
CID 141066617
bis(3-oxobutanoate);propylaluminum(2+)
CID 175370706
tris(2-aminoacetate);propan-2-olate;titanium(4+)
CID 138401384
3-oxobutanoate;prop-2-enoate
CID 21216987
N,N-diethylethanamine;3-oxobutanoate
CID 19857191
tetrakis(3,5-dioxohexanoate);zirconium(4+)
CID 22717551
cycloocta-1,5-diene;3-oxobutanoate;rhodium
CID 159127896

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);3-oxobutanoate;bis(propan-2-olate)?
The IUPAC name of cobalt(3+);3-oxobutanoate;bis(propan-2-olate) (CID 173419525) is cobalt(3+);3-oxobutanoate;bis(propan-2-olate).
What is the SMILES notation for cobalt(3+);3-oxobutanoate;bis(propan-2-olate)?
The canonical SMILES for cobalt(3+);3-oxobutanoate;bis(propan-2-olate) is CC(=O)CC(=O)[O-].CC(C)[O-].CC(C)[O-].[Co+3].
What is the InChIKey of cobalt(3+);3-oxobutanoate;bis(propan-2-olate)?
The InChIKey is FVCLJGYIKJAUCI-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O3.2C3H7O.Co/c1-3(5)2-4(6)7;2*1-3(2)4;/h2H2,1H3,(H,6,7);2*3H,1-2H3;/q;2*-1;+3/p-1.
What are the key properties of cobalt(3+);3-oxobutanoate;bis(propan-2-olate)?
cobalt(3+);3-oxobutanoate;bis(propan-2-olate) has a molecular weight of 278.19 g/mol, XLogP of -1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);3-oxobutanoate;bis(propan-2-olate) is sourced from PubChem (CID 173419525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).