benzene;(5Z)-cycloocta-1,5-diene;ruthenium

C14H18Ru — CID 173055648

IUPACbenzene;(5Z)-cycloocta-1,5-diene;ruthenium
SMILESC1=CCC/C=C\CC1.[Ru].c1ccccc1
InChIInChI=1S/C8H12.C6H6.Ru/c1-2-4-6-8-7-5-3-1;1-2-4-6-5-3-1;/h1-2,7-8H,3-6H2;1-6H;/b2-1-,8-7?;;
InChIKeyZLFZRTSZGXXNQN-RPMSXJIWSA-N
MW287.37 g/mol
LogP4.36
Rot. Bonds

About benzene;(5Z)-cycloocta-1,5-diene;ruthenium

benzene;(5Z)-cycloocta-1,5-diene;ruthenium (PubChem CID 173055648) has the molecular formula C14H18Ru and a molecular weight of 287.37 g/mol. Its IUPAC name is benzene;(5Z)-cycloocta-1,5-diene;ruthenium.

Molecular Properties

Compound Namebenzene;(5Z)-cycloocta-1,5-diene;ruthenium
PubChem CID173055648
Molecular FormulaC14H18Ru
Molecular Weight287.37 g/mol
Exact Mass288.05
IUPAC Namebenzene;(5Z)-cycloocta-1,5-diene;ruthenium
SMILESC1=CCC/C=C\CC1.[Ru].c1ccccc1
InChIInChI=1S/C8H12.C6H6.Ru/c1-2-4-6-8-7-5-3-1;1-2-4-6-5-3-1;/h1-2,7-8H,3-6H2;1-6H;/b2-1-,8-7?;;
InChIKeyZLFZRTSZGXXNQN-RPMSXJIWSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzene;(5Z)-cycloocta-1,5-diene;ruthenium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;cycloocta-1,5-diene;rhodium
CID 158521667
bis(cycloocta-1,5-diene);ruthenium
CID 158609135
(5Z)-cycloocta-1,5-diene;bis(iridium)
CID 173000003
cyclododeca-1,5,9-triene;nickel
CID 72956495
cycloocta-1,5-diene;bis(iridium)
CID 158477680
cycloocta-1,5-diene;pyridine
CID 67865070
(5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride
CID 173118976
cycloocta-1,5-diene;ruthenium(3+);trichloride
CID 161202598
bis(cycloocta-1,5-diene);rhodium(3+);trichloride
CID 159589811
cyclobutene;phosphane
CID 160703954
cyclobutene;dihydrobromide
CID 88606852
(5Z)-cyclodeca-1,5-diene
CID 97293620

Frequently Asked Questions

What is the IUPAC name of benzene;(5Z)-cycloocta-1,5-diene;ruthenium?
The IUPAC name of benzene;(5Z)-cycloocta-1,5-diene;ruthenium (CID 173055648) is benzene;(5Z)-cycloocta-1,5-diene;ruthenium.
What is the SMILES notation for benzene;(5Z)-cycloocta-1,5-diene;ruthenium?
The canonical SMILES for benzene;(5Z)-cycloocta-1,5-diene;ruthenium is C1=CCC/C=C\CC1.[Ru].c1ccccc1.
What is the InChIKey of benzene;(5Z)-cycloocta-1,5-diene;ruthenium?
The InChIKey is ZLFZRTSZGXXNQN-RPMSXJIWSA-N. The full InChI is InChI=1S/C8H12.C6H6.Ru/c1-2-4-6-8-7-5-3-1;1-2-4-6-5-3-1;/h1-2,7-8H,3-6H2;1-6H;/b2-1-,8-7?;;.
What are the key properties of benzene;(5Z)-cycloocta-1,5-diene;ruthenium?
benzene;(5Z)-cycloocta-1,5-diene;ruthenium has a molecular weight of 287.37 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;(5Z)-cycloocta-1,5-diene;ruthenium is sourced from PubChem (CID 173055648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).