bis(bicyclo[2.2.1]hepta-2,5-diene);tetrachlororuthenium

C14H16Cl4Ru — CID 19690374

IUPACbis(bicyclo[2.2.1]hepta-2,5-diene);tetrachlororuthenium
SMILESC1=CC2C=CC1C2.C1=CC2C=CC1C2.Cl[Ru](Cl)(Cl)Cl
InChIInChI=1S/2C7H8.4ClH.Ru/c2*1-2-7-4-3-6(1)5-7;;;;;/h2*1-4,6-7H,5H2;4*1H;/q;;;;;;+4/p-4
InChIKeyFREJSLDYEMGXEL-UHFFFAOYSA-J
MW427.16 g/mol
LogP6.25
Rot. Bonds

About bis(bicyclo[2.2.1]hepta-2,5-diene);tetrachlororuthenium

bis(bicyclo[2.2.1]hepta-2,5-diene);tetrachlororuthenium (PubChem CID 19690374) has the molecular formula C14H16Cl4Ru and a molecular weight of 427.16 g/mol. Its IUPAC name is bis(bicyclo[2.2.1]hepta-2,5-diene);tetrachlororuthenium.

Molecular Properties

Compound Namebis(bicyclo[2.2.1]hepta-2,5-diene);tetrachlororuthenium
PubChem CID19690374
Molecular FormulaC14H16Cl4Ru
Molecular Weight427.16 g/mol
Exact Mass425.90
IUPAC Namebis(bicyclo[2.2.1]hepta-2,5-diene);tetrachlororuthenium
SMILESC1=CC2C=CC1C2.C1=CC2C=CC1C2.Cl[Ru](Cl)(Cl)Cl
InChIInChI=1S/2C7H8.4ClH.Ru/c2*1-2-7-4-3-6(1)5-7;;;;;/h2*1-4,6-7H,5H2;4*1H;/q;;;;;;+4/p-4
InChIKeyFREJSLDYEMGXEL-UHFFFAOYSA-J
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.16
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(bicyclo[2.2.1]hepta-2,5-diene);tetrachlororuthenium?
The IUPAC name of bis(bicyclo[2.2.1]hepta-2,5-diene);tetrachlororuthenium (CID 19690374) is bis(bicyclo[2.2.1]hepta-2,5-diene);tetrachlororuthenium.
What is the SMILES notation for bis(bicyclo[2.2.1]hepta-2,5-diene);tetrachlororuthenium?
The canonical SMILES for bis(bicyclo[2.2.1]hepta-2,5-diene);tetrachlororuthenium is C1=CC2C=CC1C2.C1=CC2C=CC1C2.Cl[Ru](Cl)(Cl)Cl.
What is the InChIKey of bis(bicyclo[2.2.1]hepta-2,5-diene);tetrachlororuthenium?
The InChIKey is FREJSLDYEMGXEL-UHFFFAOYSA-J. The full InChI is InChI=1S/2C7H8.4ClH.Ru/c2*1-2-7-4-3-6(1)5-7;;;;;/h2*1-4,6-7H,5H2;4*1H;/q;;;;;;+4/p-4.
What are the key properties of bis(bicyclo[2.2.1]hepta-2,5-diene);tetrachlororuthenium?
bis(bicyclo[2.2.1]hepta-2,5-diene);tetrachlororuthenium has a molecular weight of 427.16 g/mol, XLogP of 6.25, 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-2,5-diene);tetrachlororuthenium is sourced from PubChem (CID 19690374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).