cobalt(2+);octane-2,4-dione

C8H14CoO2+2 — CID 22152476

IUPACcobalt(2+);octane-2,4-dione
SMILESCCCCC(=O)CC(C)=O.[Co+2]
InChIInChI=1S/C8H14O2.Co/c1-3-4-5-8(10)6-7(2)9;/h3-6H2,1-2H3;/q;+2
InChIKeyLVLABXDMDOZBHS-UHFFFAOYSA-N
MW201.13 g/mol
LogP1.72
Rot. Bonds5

About cobalt(2+);octane-2,4-dione

cobalt(2+);octane-2,4-dione (PubChem CID 22152476) has the molecular formula C8H14CoO2+2 and a molecular weight of 201.13 g/mol. Its IUPAC name is cobalt(2+);octane-2,4-dione.

Molecular Properties

Compound Namecobalt(2+);octane-2,4-dione
PubChem CID22152476
Molecular FormulaC8H14CoO2+2
Molecular Weight201.13 g/mol
Exact Mass201.03
IUPAC Namecobalt(2+);octane-2,4-dione
SMILESCCCCC(=O)CC(C)=O.[Co+2]
InChIInChI=1S/C8H14O2.Co/c1-3-4-5-8(10)6-7(2)9;/h3-6H2,1-2H3;/q;+2
InChIKeyLVLABXDMDOZBHS-UHFFFAOYSA-N
XLogP1.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.13
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pentadecane-2,4-dione
CID 529775
heptane-2,4-dione;palladium(2+)
CID 21417766
bis(heptane-2,4-dione);platinum
CID 158167242
tridecane-2,6,8-trione
CID 154620495
pentane;pentane-2,4-dione
CID 91463121
heptacosane-10,12-dione
CID 14235516
6,8-dioxododecanoic acid
CID 88561776
methyl 3-oxoheptanoate
CID 546075
N-(3-oxobutanoyl)pentanamide
CID 86030828
N,N-dimethyl-3-oxoheptanamide
CID 86682301
hexan-2-one;molecular nitrogen
CID 174442577
ethene;hexan-2-one
CID 88765599

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);octane-2,4-dione?
The IUPAC name of cobalt(2+);octane-2,4-dione (CID 22152476) is cobalt(2+);octane-2,4-dione.
What is the SMILES notation for cobalt(2+);octane-2,4-dione?
The canonical SMILES for cobalt(2+);octane-2,4-dione is CCCCC(=O)CC(C)=O.[Co+2].
What is the InChIKey of cobalt(2+);octane-2,4-dione?
The InChIKey is LVLABXDMDOZBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.Co/c1-3-4-5-8(10)6-7(2)9;/h3-6H2,1-2H3;/q;+2.
What are the key properties of cobalt(2+);octane-2,4-dione?
cobalt(2+);octane-2,4-dione has a molecular weight of 201.13 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);octane-2,4-dione is sourced from PubChem (CID 22152476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).