ethanone;zirconium

C2H3OZr2- — CID 158854782

IUPACethanone;zirconium
SMILESC[C-]=O.[Zr].[Zr]
InChIInChI=1S/C2H3O.2Zr/c1-2-3;;/h1H3;;/q-1;;
InChIKeyDOPLQQATMWYWHT-UHFFFAOYSA-N
MW225.49 g/mol
LogP0.11
Rot. Bonds

About ethanone;zirconium

ethanone;zirconium (PubChem CID 158854782) has the molecular formula C2H3OZr2- and a molecular weight of 225.49 g/mol. Its IUPAC name is ethanone;zirconium.

Molecular Properties

Compound Nameethanone;zirconium
PubChem CID158854782
Molecular FormulaC2H3OZr2-
Molecular Weight225.49 g/mol
Exact Mass222.83
IUPAC Nameethanone;zirconium
SMILESC[C-]=O.[Zr].[Zr]
InChIInChI=1S/C2H3O.2Zr/c1-2-3;;/h1H3;;/q-1;;
InChIKeyDOPLQQATMWYWHT-UHFFFAOYSA-N
XLogP0.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.49
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze ethanone;zirconium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethanone;zirconium;tetrahydrochloride
CID 174366776
ethanone;lanthanum(3+)
CID 177438254
ethanone;titanium
CID 71775225
ethanone;manganese(2+)
CID 23617191
ethanone;oxozinc
CID 58527707
ethanone;ruthenium(1+);hydrate
CID 158242584
ethanone;bis(rhodium(2+));hydrate
CID 11090502
chromium(3+);ethane;ethanone
CID 174976009
CID 173467521
CID 173467521
ethane;ethanone;palladium
CID 88825690
alumane;ethanone;sulfanylidenecadmium
CID 173067547
ethanone;hexafluororhenium
CID 151145262

Frequently Asked Questions

What is the IUPAC name of ethanone;zirconium?
The IUPAC name of ethanone;zirconium (CID 158854782) is ethanone;zirconium.
What is the SMILES notation for ethanone;zirconium?
The canonical SMILES for ethanone;zirconium is C[C-]=O.[Zr].[Zr].
What is the InChIKey of ethanone;zirconium?
The InChIKey is DOPLQQATMWYWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3O.2Zr/c1-2-3;;/h1H3;;/q-1;;.
What are the key properties of ethanone;zirconium?
ethanone;zirconium has a molecular weight of 225.49 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanone;zirconium is sourced from PubChem (CID 158854782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).