(5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride

C8H12Cl2Ru — CID 173118976

IUPAC(5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride
SMILESC1=CCC/C=C\CC1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C8H12.2ClH.Ru/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2/b2-1-,8-7?;;;
InChIKeyDMRVBCXRFYZCPR-PGUQZTAYSA-L
MW280.16 g/mol
LogP-3.32
Rot. Bonds

About (5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride

(5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride (PubChem CID 173118976) has the molecular formula C8H12Cl2Ru and a molecular weight of 280.16 g/mol. Its IUPAC name is (5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride.

Molecular Properties

Compound Name(5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride
PubChem CID173118976
Molecular FormulaC8H12Cl2Ru
Molecular Weight280.16 g/mol
Exact Mass279.94
IUPAC Name(5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride
SMILESC1=CCC/C=C\CC1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C8H12.2ClH.Ru/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2/b2-1-,8-7?;;;
InChIKeyDMRVBCXRFYZCPR-PGUQZTAYSA-L
XLogP-3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 5-3.32
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 (5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride?
The IUPAC name of (5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride (CID 173118976) is (5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride.
What is the SMILES notation for (5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride?
The canonical SMILES for (5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride is C1=CCC/C=C\CC1.[Cl-].[Cl-].[Ru+2].
What is the InChIKey of (5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride?
The InChIKey is DMRVBCXRFYZCPR-PGUQZTAYSA-L. The full InChI is InChI=1S/C8H12.2ClH.Ru/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2/b2-1-,8-7?;;;.
What are the key properties of (5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride?
(5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride has a molecular weight of 280.16 g/mol, XLogP of -3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride is sourced from PubChem (CID 173118976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).