bicyclo[2.2.1]hepta-2,5-diene;ruthenium;1,2,3,6-tetrachlorobicyclo[2.2.1]hepta-2,5-diene

C14H12Cl4Ru2 — CID 173308675

IUPACbicyclo[2.2.1]hepta-2,5-diene;ruthenium;1,2,3,6-tetrachlorobicyclo[2.2.1]hepta-2,5-diene
SMILESC1=CC2C=CC1C2.ClC1=CC2CC1(Cl)C(Cl)=C2Cl.[Ru].[Ru]
InChIInChI=1S/C7H4Cl4.C7H8.2Ru/c8-4-1-3-2-7(4,11)6(10)5(3)9;1-2-7-4-3-6(1)5-7;;/h1,3H,2H2;1-4,6-7H,5H2;;
InChIKeyMUTAKFDIQWMSBS-UHFFFAOYSA-N
MW524.20 g/mol
LogP5.55
Rot. Bonds

About bicyclo[2.2.1]hepta-2,5-diene;ruthenium;1,2,3,6-tetrachlorobicyclo[2.2.1]hepta-2,5-diene

bicyclo[2.2.1]hepta-2,5-diene;ruthenium;1,2,3,6-tetrachlorobicyclo[2.2.1]hepta-2,5-diene (PubChem CID 173308675) has the molecular formula C14H12Cl4Ru2 and a molecular weight of 524.20 g/mol. Its IUPAC name is bicyclo[2.2.1]hepta-2,5-diene;ruthenium;1,2,3,6-tetrachlorobicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Namebicyclo[2.2.1]hepta-2,5-diene;ruthenium;1,2,3,6-tetrachlorobicyclo[2.2.1]hepta-2,5-diene
PubChem CID173308675
Molecular FormulaC14H12Cl4Ru2
Molecular Weight524.20 g/mol
Exact Mass523.78
IUPAC Namebicyclo[2.2.1]hepta-2,5-diene;ruthenium;1,2,3,6-tetrachlorobicyclo[2.2.1]hepta-2,5-diene
SMILESC1=CC2C=CC1C2.ClC1=CC2CC1(Cl)C(Cl)=C2Cl.[Ru].[Ru]
InChIInChI=1S/C7H4Cl4.C7H8.2Ru/c8-4-1-3-2-7(4,11)6(10)5(3)9;1-2-7-4-3-6(1)5-7;;/h1,3H,2H2;1-4,6-7H,5H2;;
InChIKeyMUTAKFDIQWMSBS-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.20
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Bis(bicyclo[2.2.1]hepta-2,5-diene);tetrachlororuthenium
CID 19690374
CID 88318302
CID 88318302
Bicyclo[2.2.1]hepta-2,5-diene;2,3-dichlorobicyclo[2.2.1]hepta-2,5-diene;bis(rhodium)
CID 173246942

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hepta-2,5-diene;ruthenium;1,2,3,6-tetrachlorobicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of bicyclo[2.2.1]hepta-2,5-diene;ruthenium;1,2,3,6-tetrachlorobicyclo[2.2.1]hepta-2,5-diene (CID 173308675) is bicyclo[2.2.1]hepta-2,5-diene;ruthenium;1,2,3,6-tetrachlorobicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for bicyclo[2.2.1]hepta-2,5-diene;ruthenium;1,2,3,6-tetrachlorobicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for bicyclo[2.2.1]hepta-2,5-diene;ruthenium;1,2,3,6-tetrachlorobicyclo[2.2.1]hepta-2,5-diene is C1=CC2C=CC1C2.ClC1=CC2CC1(Cl)C(Cl)=C2Cl.[Ru].[Ru].
What is the InChIKey of bicyclo[2.2.1]hepta-2,5-diene;ruthenium;1,2,3,6-tetrachlorobicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is MUTAKFDIQWMSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl4.C7H8.2Ru/c8-4-1-3-2-7(4,11)6(10)5(3)9;1-2-7-4-3-6(1)5-7;;/h1,3H,2H2;1-4,6-7H,5H2;;.
What are the key properties of bicyclo[2.2.1]hepta-2,5-diene;ruthenium;1,2,3,6-tetrachlorobicyclo[2.2.1]hepta-2,5-diene?
bicyclo[2.2.1]hepta-2,5-diene;ruthenium;1,2,3,6-tetrachlorobicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 524.20 g/mol, XLogP of 5.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hepta-2,5-diene;ruthenium;1,2,3,6-tetrachlorobicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 173308675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).