ethanone;lanthanum(3+)

C6H9LaO3 — CID 177438254

IUPACethanone;lanthanum(3+)
SMILESC[C-]=O.C[C-]=O.C[C-]=O.[La+3]
InChIInChI=1S/3C2H3O.La/c3*1-2-3;/h3*1H3;/q3*-1;+3
InChIKeyAXIMZLBPXKBWRK-UHFFFAOYSA-N
MW268.04 g/mol
LogP0.35
Rot. Bonds

About ethanone;lanthanum(3+)

ethanone;lanthanum(3+) (PubChem CID 177438254) has the molecular formula C6H9LaO3 and a molecular weight of 268.04 g/mol. Its IUPAC name is ethanone;lanthanum(3+).

Molecular Properties

Compound Nameethanone;lanthanum(3+)
PubChem CID177438254
Molecular FormulaC6H9LaO3
Molecular Weight268.04 g/mol
Exact Mass267.96
IUPAC Nameethanone;lanthanum(3+)
SMILESC[C-]=O.C[C-]=O.C[C-]=O.[La+3]
InChIInChI=1S/3C2H3O.La/c3*1-2-3;/h3*1H3;/q3*-1;+3
InChIKeyAXIMZLBPXKBWRK-UHFFFAOYSA-N
XLogP0.35
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.04
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethanone;lanthanum(3+) 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
CID 158854782
ethanone;titanium
CID 71775225
ethanone;manganese(2+)
CID 23617191
ethanone;ruthenium(1+);hydrate
CID 158242584
ethanone;zirconium;tetrahydrochloride
CID 174366776
ethanone;oxozinc
CID 58527707
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;lanthanum(3+)?
The IUPAC name of ethanone;lanthanum(3+) (CID 177438254) is ethanone;lanthanum(3+).
What is the SMILES notation for ethanone;lanthanum(3+)?
The canonical SMILES for ethanone;lanthanum(3+) is C[C-]=O.C[C-]=O.C[C-]=O.[La+3].
What is the InChIKey of ethanone;lanthanum(3+)?
The InChIKey is AXIMZLBPXKBWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H3O.La/c3*1-2-3;/h3*1H3;/q3*-1;+3.
What are the key properties of ethanone;lanthanum(3+)?
ethanone;lanthanum(3+) has a molecular weight of 268.04 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanone;lanthanum(3+) is sourced from PubChem (CID 177438254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).