bis(3-acetyl-4-oxopent-2-en-2-olate);cobalt(2+)

C14H18CoO6 — CID 15757081

IUPACbis(3-acetyl-4-oxopent-2-en-2-olate);cobalt(2+)
SMILESCC(=O)C(C(C)=O)=C(C)[O-].CC(=O)C(C(C)=O)=C(C)[O-].[Co+2]
InChIInChI=1S/2C7H10O3.Co/c2*1-4(8)7(5(2)9)6(3)10;/h2*8H,1-3H3;/q;;+2/p-2
InChIKeyLEMPHKTXGQNGAM-UHFFFAOYSA-L
MW341.23 g/mol
LogP-0.41
Rot. Bonds4

About bis(3-acetyl-4-oxopent-2-en-2-olate);cobalt(2+)

bis(3-acetyl-4-oxopent-2-en-2-olate);cobalt(2+) (PubChem CID 15757081) has the molecular formula C14H18CoO6 and a molecular weight of 341.23 g/mol. Its IUPAC name is bis(3-acetyl-4-oxopent-2-en-2-olate);cobalt(2+).

Molecular Properties

Compound Namebis(3-acetyl-4-oxopent-2-en-2-olate);cobalt(2+)
PubChem CID15757081
Molecular FormulaC14H18CoO6
Molecular Weight341.23 g/mol
Exact Mass341.04
IUPAC Namebis(3-acetyl-4-oxopent-2-en-2-olate);cobalt(2+)
SMILESCC(=O)C(C(C)=O)=C(C)[O-].CC(=O)C(C(C)=O)=C(C)[O-].[Co+2]
InChIInChI=1S/2C7H10O3.Co/c2*1-4(8)7(5(2)9)6(3)10;/h2*8H,1-3H3;/q;;+2/p-2
InChIKeyLEMPHKTXGQNGAM-UHFFFAOYSA-L
XLogP-0.41
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

bis(cobalt(2+));tetraacetate
CID 157121376
bis(cobalt(2+));hexakis(lead(2+));octaacetate
CID 173373798
cobalt(2+);acetate;hexahydrate
CID 21479533
cesium 2-oxopropanoate
CID 23676701
chromium(3+);tris((Z)-3-methyl-4-oxopent-2-en-2-olate)
CID 5483673
manganese(3+) diacetate
CID 159209977
tricalcium diacetate
CID 19804487
terbium(3+) acetate
CID 22482914
(indium(3+)) diacetate
CID 173450278
zirconium acetate
CID 18596
uranium hexaacetate
CID 20541057
CID 170997571
CID 170997571

Frequently Asked Questions

What is the IUPAC name of bis(3-acetyl-4-oxopent-2-en-2-olate);cobalt(2+)?
The IUPAC name of bis(3-acetyl-4-oxopent-2-en-2-olate);cobalt(2+) (CID 15757081) is bis(3-acetyl-4-oxopent-2-en-2-olate);cobalt(2+).
What is the SMILES notation for bis(3-acetyl-4-oxopent-2-en-2-olate);cobalt(2+)?
The canonical SMILES for bis(3-acetyl-4-oxopent-2-en-2-olate);cobalt(2+) is CC(=O)C(C(C)=O)=C(C)[O-].CC(=O)C(C(C)=O)=C(C)[O-].[Co+2].
What is the InChIKey of bis(3-acetyl-4-oxopent-2-en-2-olate);cobalt(2+)?
The InChIKey is LEMPHKTXGQNGAM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H10O3.Co/c2*1-4(8)7(5(2)9)6(3)10;/h2*8H,1-3H3;/q;;+2/p-2.
What are the key properties of bis(3-acetyl-4-oxopent-2-en-2-olate);cobalt(2+)?
bis(3-acetyl-4-oxopent-2-en-2-olate);cobalt(2+) has a molecular weight of 341.23 g/mol, XLogP of -0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-acetyl-4-oxopent-2-en-2-olate);cobalt(2+) is sourced from PubChem (CID 15757081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).