carbon monoxide;ruthenium(2+);trihydrate

C2H6O5Ru+2 — CID 129012096

IUPACcarbon monoxide;ruthenium(2+);trihydrate
SMILESO.O.O.[C-]#[O+].[C-]#[O+].[Ru+2]
InChIInChI=1S/2CO.3H2O.Ru/c2*1-2;;;;/h;;3*1H2;/q;;;;;+2
InChIKeyJRVUEAJWGGDODA-UHFFFAOYSA-N
MW211.13 g/mol
LogP-2.55
Rot. Bonds

About carbon monoxide;ruthenium(2+);trihydrate

carbon monoxide;ruthenium(2+);trihydrate (PubChem CID 129012096) has the molecular formula C2H6O5Ru+2 and a molecular weight of 211.13 g/mol. Its IUPAC name is carbon monoxide;ruthenium(2+);trihydrate.

Molecular Properties

Compound Namecarbon monoxide;ruthenium(2+);trihydrate
PubChem CID129012096
Molecular FormulaC2H6O5Ru+2
Molecular Weight211.13 g/mol
Exact Mass211.92
IUPAC Namecarbon monoxide;ruthenium(2+);trihydrate
SMILESO.O.O.[C-]#[O+].[C-]#[O+].[Ru+2]
InChIInChI=1S/2CO.3H2O.Ru/c2*1-2;;;;/h;;3*1H2;/q;;;;;+2
InChIKeyJRVUEAJWGGDODA-UHFFFAOYSA-N
XLogP-2.55
TPSA134.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.13
LogP ≤ 5-2.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;ruthenium(2+);trihydrate?
The IUPAC name of carbon monoxide;ruthenium(2+);trihydrate (CID 129012096) is carbon monoxide;ruthenium(2+);trihydrate.
What is the SMILES notation for carbon monoxide;ruthenium(2+);trihydrate?
The canonical SMILES for carbon monoxide;ruthenium(2+);trihydrate is O.O.O.[C-]#[O+].[C-]#[O+].[Ru+2].
What is the InChIKey of carbon monoxide;ruthenium(2+);trihydrate?
The InChIKey is JRVUEAJWGGDODA-UHFFFAOYSA-N. The full InChI is InChI=1S/2CO.3H2O.Ru/c2*1-2;;;;/h;;3*1H2;/q;;;;;+2.
What are the key properties of carbon monoxide;ruthenium(2+);trihydrate?
carbon monoxide;ruthenium(2+);trihydrate has a molecular weight of 211.13 g/mol, XLogP of -2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;ruthenium(2+);trihydrate is sourced from PubChem (CID 129012096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).