bis(bicyclo[2.2.1]hepta-1,3-diene);ruthenium(2+);dichloride

C14H16Cl2Ru — CID 157266510

IUPACbis(bicyclo[2.2.1]hepta-1,3-diene);ruthenium(2+);dichloride
SMILESC1=C2CCC(=C1)C2.C1=C2CCC(=C1)C2.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/2C7H8.2ClH.Ru/c2*1-2-7-4-3-6(1)5-7;;;/h2*1-2H,3-5H2;2*1H;/q;;;;+2/p-2
InChIKeyAYBCWNOEUXVXQV-UHFFFAOYSA-L
MW356.26 g/mol
LogP-1.92
Rot. Bonds

About bis(bicyclo[2.2.1]hepta-1,3-diene);ruthenium(2+);dichloride

bis(bicyclo[2.2.1]hepta-1,3-diene);ruthenium(2+);dichloride (PubChem CID 157266510) has the molecular formula C14H16Cl2Ru and a molecular weight of 356.26 g/mol. Its IUPAC name is bis(bicyclo[2.2.1]hepta-1,3-diene);ruthenium(2+);dichloride.

Molecular Properties

Compound Namebis(bicyclo[2.2.1]hepta-1,3-diene);ruthenium(2+);dichloride
PubChem CID157266510
Molecular FormulaC14H16Cl2Ru
Molecular Weight356.26 g/mol
Exact Mass355.97
IUPAC Namebis(bicyclo[2.2.1]hepta-1,3-diene);ruthenium(2+);dichloride
SMILESC1=C2CCC(=C1)C2.C1=C2CCC(=C1)C2.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/2C7H8.2ClH.Ru/c2*1-2-7-4-3-6(1)5-7;;;/h2*1-2H,3-5H2;2*1H;/q;;;;+2/p-2
InChIKeyAYBCWNOEUXVXQV-UHFFFAOYSA-L
XLogP-1.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 5-1.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(bicyclo[2.2.1]hepta-1,3-diene);ruthenium(2+);dichloride?
The IUPAC name of bis(bicyclo[2.2.1]hepta-1,3-diene);ruthenium(2+);dichloride (CID 157266510) is bis(bicyclo[2.2.1]hepta-1,3-diene);ruthenium(2+);dichloride.
What is the SMILES notation for bis(bicyclo[2.2.1]hepta-1,3-diene);ruthenium(2+);dichloride?
The canonical SMILES for bis(bicyclo[2.2.1]hepta-1,3-diene);ruthenium(2+);dichloride is C1=C2CCC(=C1)C2.C1=C2CCC(=C1)C2.[Cl-].[Cl-].[Ru+2].
What is the InChIKey of bis(bicyclo[2.2.1]hepta-1,3-diene);ruthenium(2+);dichloride?
The InChIKey is AYBCWNOEUXVXQV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H8.2ClH.Ru/c2*1-2-7-4-3-6(1)5-7;;;/h2*1-2H,3-5H2;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(bicyclo[2.2.1]hepta-1,3-diene);ruthenium(2+);dichloride?
bis(bicyclo[2.2.1]hepta-1,3-diene);ruthenium(2+);dichloride has a molecular weight of 356.26 g/mol, XLogP of -1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bicyclo[2.2.1]hepta-1,3-diene);ruthenium(2+);dichloride is sourced from PubChem (CID 157266510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).