cumene;ruthenium(2+);dichloride

C9H12Cl2Ru — CID 23094461

IUPACcumene;ruthenium(2+);dichloride
SMILESCC(C)c1ccccc1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C9H12.2ClH.Ru/c1-8(2)9-6-4-3-5-7-9;;;/h3-8H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyHXFLHQSZXLTPSH-UHFFFAOYSA-L
MW292.17 g/mol
LogP-3.18
Rot. Bonds1

About cumene;ruthenium(2+);dichloride

cumene;ruthenium(2+);dichloride (PubChem CID 23094461) has the molecular formula C9H12Cl2Ru and a molecular weight of 292.17 g/mol. Its IUPAC name is cumene;ruthenium(2+);dichloride.

Molecular Properties

Compound Namecumene;ruthenium(2+);dichloride
PubChem CID23094461
Molecular FormulaC9H12Cl2Ru
Molecular Weight292.17 g/mol
Exact Mass291.94
IUPAC Namecumene;ruthenium(2+);dichloride
SMILESCC(C)c1ccccc1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C9H12.2ClH.Ru/c1-8(2)9-6-4-3-5-7-9;;;/h3-8H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyHXFLHQSZXLTPSH-UHFFFAOYSA-L
XLogP-3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 5-3.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cumene;ruthenium(2+);dichloride?
The IUPAC name of cumene;ruthenium(2+);dichloride (CID 23094461) is cumene;ruthenium(2+);dichloride.
What is the SMILES notation for cumene;ruthenium(2+);dichloride?
The canonical SMILES for cumene;ruthenium(2+);dichloride is CC(C)c1ccccc1.[Cl-].[Cl-].[Ru+2].
What is the InChIKey of cumene;ruthenium(2+);dichloride?
The InChIKey is HXFLHQSZXLTPSH-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H12.2ClH.Ru/c1-8(2)9-6-4-3-5-7-9;;;/h3-8H,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of cumene;ruthenium(2+);dichloride?
cumene;ruthenium(2+);dichloride has a molecular weight of 292.17 g/mol, XLogP of -3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ruthenium(2+);dichloride is sourced from PubChem (CID 23094461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).