ethanone;ruthenium(1+);hydrate

C2H5O2Ru — CID 158242584

IUPACethanone;ruthenium(1+);hydrate
SMILESC[C-]=O.O.[Ru+]
InChIInChI=1S/C2H3O.H2O.Ru/c1-2-3;;/h1H3;1H2;/q-1;;+1
InChIKeyBSXISPBCAWDDLD-UHFFFAOYSA-N
MW162.13 g/mol
LogP-0.71
Rot. Bonds

About ethanone;ruthenium(1+);hydrate

ethanone;ruthenium(1+);hydrate (PubChem CID 158242584) has the molecular formula C2H5O2Ru and a molecular weight of 162.13 g/mol. Its IUPAC name is ethanone;ruthenium(1+);hydrate.

Molecular Properties

Compound Nameethanone;ruthenium(1+);hydrate
PubChem CID158242584
Molecular FormulaC2H5O2Ru
Molecular Weight162.13 g/mol
Exact Mass162.93
IUPAC Nameethanone;ruthenium(1+);hydrate
SMILESC[C-]=O.O.[Ru+]
InChIInChI=1S/C2H3O.H2O.Ru/c1-2-3;;/h1H3;1H2;/q-1;;+1
InChIKeyBSXISPBCAWDDLD-UHFFFAOYSA-N
XLogP-0.71
TPSA48.57 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.13
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanone;ruthenium(1+);hydrate?
The IUPAC name of ethanone;ruthenium(1+);hydrate (CID 158242584) is ethanone;ruthenium(1+);hydrate.
What is the SMILES notation for ethanone;ruthenium(1+);hydrate?
The canonical SMILES for ethanone;ruthenium(1+);hydrate is C[C-]=O.O.[Ru+].
What is the InChIKey of ethanone;ruthenium(1+);hydrate?
The InChIKey is BSXISPBCAWDDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3O.H2O.Ru/c1-2-3;;/h1H3;1H2;/q-1;;+1.
What are the key properties of ethanone;ruthenium(1+);hydrate?
ethanone;ruthenium(1+);hydrate has a molecular weight of 162.13 g/mol, XLogP of -0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanone;ruthenium(1+);hydrate is sourced from PubChem (CID 158242584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).