cycloocta-1,5-diene;ruthenium(3+);trichloride

C8H12Cl3Ru — CID 161202598

IUPACcycloocta-1,5-diene;ruthenium(3+);trichloride
SMILESC1=CCCC=CCC1.[Cl-].[Cl-].[Cl-].[Ru+3]
InChIInChI=1S/C8H12.3ClH.Ru/c1-2-4-6-8-7-5-3-1;;;;/h1-2,7-8H,3-6H2;3*1H;/q;;;;+3/p-3
InChIKeyUVEIIHXQOGZLQT-UHFFFAOYSA-K
MW315.61 g/mol
LogP-6.32
Rot. Bonds

About cycloocta-1,5-diene;ruthenium(3+);trichloride

cycloocta-1,5-diene;ruthenium(3+);trichloride (PubChem CID 161202598) has the molecular formula C8H12Cl3Ru and a molecular weight of 315.61 g/mol. Its IUPAC name is cycloocta-1,5-diene;ruthenium(3+);trichloride.

Molecular Properties

Compound Namecycloocta-1,5-diene;ruthenium(3+);trichloride
PubChem CID161202598
Molecular FormulaC8H12Cl3Ru
Molecular Weight315.61 g/mol
Exact Mass314.90
IUPAC Namecycloocta-1,5-diene;ruthenium(3+);trichloride
SMILESC1=CCCC=CCC1.[Cl-].[Cl-].[Cl-].[Ru+3]
InChIInChI=1S/C8H12.3ClH.Ru/c1-2-4-6-8-7-5-3-1;;;;/h1-2,7-8H,3-6H2;3*1H;/q;;;;+3/p-3
InChIKeyUVEIIHXQOGZLQT-UHFFFAOYSA-K
XLogP-6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.61
LogP ≤ 5-6.32
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 cycloocta-1,5-diene;ruthenium(3+);trichloride?
The IUPAC name of cycloocta-1,5-diene;ruthenium(3+);trichloride (CID 161202598) is cycloocta-1,5-diene;ruthenium(3+);trichloride.
What is the SMILES notation for cycloocta-1,5-diene;ruthenium(3+);trichloride?
The canonical SMILES for cycloocta-1,5-diene;ruthenium(3+);trichloride is C1=CCCC=CCC1.[Cl-].[Cl-].[Cl-].[Ru+3].
What is the InChIKey of cycloocta-1,5-diene;ruthenium(3+);trichloride?
The InChIKey is UVEIIHXQOGZLQT-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H12.3ClH.Ru/c1-2-4-6-8-7-5-3-1;;;;/h1-2,7-8H,3-6H2;3*1H;/q;;;;+3/p-3.
What are the key properties of cycloocta-1,5-diene;ruthenium(3+);trichloride?
cycloocta-1,5-diene;ruthenium(3+);trichloride has a molecular weight of 315.61 g/mol, XLogP of -6.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocta-1,5-diene;ruthenium(3+);trichloride is sourced from PubChem (CID 161202598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).