cobalt;ethyl 3-oxobutanoate

C6H10CoO3 — CID 87182205

IUPACcobalt;ethyl 3-oxobutanoate
SMILESCCOC(=O)CC(C)=O.[Co]
InChIInChI=1S/C6H10O3.Co/c1-3-9-6(8)4-5(2)7;/h3-4H2,1-2H3;
InChIKeyKYPVLDPQHIDKQJ-UHFFFAOYSA-N
MW189.08 g/mol
LogP0.53
Rot. Bonds3

About cobalt;ethyl 3-oxobutanoate

cobalt;ethyl 3-oxobutanoate (PubChem CID 87182205) has the molecular formula C6H10CoO3 and a molecular weight of 189.08 g/mol. Its IUPAC name is cobalt;ethyl 3-oxobutanoate.

Molecular Properties

Compound Namecobalt;ethyl 3-oxobutanoate
PubChem CID87182205
Molecular FormulaC6H10CoO3
Molecular Weight189.08 g/mol
Exact Mass189.00
IUPAC Namecobalt;ethyl 3-oxobutanoate
SMILESCCOC(=O)CC(C)=O.[Co]
InChIInChI=1S/C6H10O3.Co/c1-3-9-6(8)4-5(2)7;/h3-4H2,1-2H3;
InChIKeyKYPVLDPQHIDKQJ-UHFFFAOYSA-N
XLogP0.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.08
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(ethyl 3-oxobutanoate);methane
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chromium(2+);ethyl 3-oxobutanoate
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CID 142838221
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CID 162260175
dioxotitanium;bis(ethyl 3-oxobutanoate);propane
CID 22178912
ethyl 3-oxobutanoate;nitrous acid
CID 174806724
ethyl 3-oxobutanoate;propan-2-ol
CID 22062382
CID 87233794
CID 87233794

Frequently Asked Questions

What is the IUPAC name of cobalt;ethyl 3-oxobutanoate?
The IUPAC name of cobalt;ethyl 3-oxobutanoate (CID 87182205) is cobalt;ethyl 3-oxobutanoate.
What is the SMILES notation for cobalt;ethyl 3-oxobutanoate?
The canonical SMILES for cobalt;ethyl 3-oxobutanoate is CCOC(=O)CC(C)=O.[Co].
What is the InChIKey of cobalt;ethyl 3-oxobutanoate?
The InChIKey is KYPVLDPQHIDKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.Co/c1-3-9-6(8)4-5(2)7;/h3-4H2,1-2H3;.
What are the key properties of cobalt;ethyl 3-oxobutanoate?
cobalt;ethyl 3-oxobutanoate has a molecular weight of 189.08 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;ethyl 3-oxobutanoate is sourced from PubChem (CID 87182205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).