chlororuthenium;methanol;hydrate

CH6ClO2Ru — CID 176550226

IUPACchlororuthenium;methanol;hydrate
SMILESCO.Cl[Ru].O
InChIInChI=1S/CH4O.ClH.H2O.Ru/c1-2;;;/h2H,1H3;1H;1H2;/q;;;+1/p-1
InChIKeyDAAISLRHBPJBJZ-UHFFFAOYSA-M
MW186.58 g/mol
LogP-0.53
Rot. Bonds

About chlororuthenium;methanol;hydrate

chlororuthenium;methanol;hydrate (PubChem CID 176550226) has the molecular formula CH6ClO2Ru and a molecular weight of 186.58 g/mol. Its IUPAC name is chlororuthenium;methanol;hydrate.

Molecular Properties

Compound Namechlororuthenium;methanol;hydrate
PubChem CID176550226
Molecular FormulaCH6ClO2Ru
Molecular Weight186.58 g/mol
Exact Mass186.91
IUPAC Namechlororuthenium;methanol;hydrate
SMILESCO.Cl[Ru].O
InChIInChI=1S/CH4O.ClH.H2O.Ru/c1-2;;;/h2H,1H3;1H;1H2;/q;;;+1/p-1
InChIKeyDAAISLRHBPJBJZ-UHFFFAOYSA-M
XLogP-0.53
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.58
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of chlororuthenium;methanol;hydrate?
The IUPAC name of chlororuthenium;methanol;hydrate (CID 176550226) is chlororuthenium;methanol;hydrate.
What is the SMILES notation for chlororuthenium;methanol;hydrate?
The canonical SMILES for chlororuthenium;methanol;hydrate is CO.Cl[Ru].O.
What is the InChIKey of chlororuthenium;methanol;hydrate?
The InChIKey is DAAISLRHBPJBJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O.ClH.H2O.Ru/c1-2;;;/h2H,1H3;1H;1H2;/q;;;+1/p-1.
What are the key properties of chlororuthenium;methanol;hydrate?
chlororuthenium;methanol;hydrate has a molecular weight of 186.58 g/mol, XLogP of -0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium;methanol;hydrate is sourced from PubChem (CID 176550226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).