bis(cycloocta-1,5-diene);ruthenium

C16H24Ru2 — CID 158609135

IUPACbis(cycloocta-1,5-diene);ruthenium
SMILESC1=CCCC=CCC1.C1=CCCC=CCC1.[Ru].[Ru]
InChIInChI=1S/2C8H12.2Ru/c2*1-2-4-6-8-7-5-3-1;;/h2*1-2,7-8H,3-6H2;;
InChIKeyHWPMTVWCLRHGBU-UHFFFAOYSA-N
MW418.51 g/mol
LogP5.34
Rot. Bonds

About bis(cycloocta-1,5-diene);ruthenium

bis(cycloocta-1,5-diene);ruthenium (PubChem CID 158609135) has the molecular formula C16H24Ru2 and a molecular weight of 418.51 g/mol. Its IUPAC name is bis(cycloocta-1,5-diene);ruthenium.

Molecular Properties

Compound Namebis(cycloocta-1,5-diene);ruthenium
PubChem CID158609135
Molecular FormulaC16H24Ru2
Molecular Weight418.51 g/mol
Exact Mass420.00
IUPAC Namebis(cycloocta-1,5-diene);ruthenium
SMILESC1=CCCC=CCC1.C1=CCCC=CCC1.[Ru].[Ru]
InChIInChI=1S/2C8H12.2Ru/c2*1-2-4-6-8-7-5-3-1;;/h2*1-2,7-8H,3-6H2;;
InChIKeyHWPMTVWCLRHGBU-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.51
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 161202598
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CID 159589811
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CID 160703954
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CID 88606852
(5Z)-cyclodeca-1,5-diene
CID 97293620
(1Z,3Z)-cyclodeca-1,3,7-triene
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Frequently Asked Questions

What is the IUPAC name of bis(cycloocta-1,5-diene);ruthenium?
The IUPAC name of bis(cycloocta-1,5-diene);ruthenium (CID 158609135) is bis(cycloocta-1,5-diene);ruthenium.
What is the SMILES notation for bis(cycloocta-1,5-diene);ruthenium?
The canonical SMILES for bis(cycloocta-1,5-diene);ruthenium is C1=CCCC=CCC1.C1=CCCC=CCC1.[Ru].[Ru].
What is the InChIKey of bis(cycloocta-1,5-diene);ruthenium?
The InChIKey is HWPMTVWCLRHGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12.2Ru/c2*1-2-4-6-8-7-5-3-1;;/h2*1-2,7-8H,3-6H2;;.
What are the key properties of bis(cycloocta-1,5-diene);ruthenium?
bis(cycloocta-1,5-diene);ruthenium has a molecular weight of 418.51 g/mol, XLogP of 5.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cycloocta-1,5-diene);ruthenium is sourced from PubChem (CID 158609135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).