carbanide;cyclopenta-1,3-diene;2,4-dimethylpenta-1,3-diene;2,4-dimethylpenta-1,3-diene;1-methylcyclopenta-1,3-diene;ruthenium;ruthenium(3+)

C26H39Ru2 — CID 161069959

About carbanide;cyclopenta-1,3-diene;2,4-dimethylpenta-1,3-diene;2,4-dimethylpenta-1,3-diene;1-methylcyclopenta-1,3-diene;ruthenium;ruthenium(3+)

carbanide;cyclopenta-1,3-diene;2,4-dimethylpenta-1,3-diene;2,4-dimethylpenta-1,3-diene;1-methylcyclopenta-1,3-diene;ruthenium;ruthenium(3+) (PubChem CID 161069959) has the molecular formula C26H39Ru2 and a molecular weight of 553.74 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;2,4-dimethylpenta-1,3-diene;2,4-dimethylpenta-1,3-diene;1-methylcyclopenta-1,3-diene;ruthenium;ruthenium(3+).

Molecular Properties

• Compound Name: carbanide;cyclopenta-1,3-diene;2,4-dimethylpenta-1,3-diene;2,4-dimethylpenta-1,3-diene;1-methylcyclopenta-1,3-diene;ruthenium;ruthenium(3+)
• PubChem CID: 161069959
• Molecular Formula: C26H39Ru2
• Molecular Weight: 553.74 g/mol
• Exact Mass: 555.11
• IUPAC Name: carbanide;cyclopenta-1,3-diene;2,4-dimethylpenta-1,3-diene;2,4-dimethylpenta-1,3-diene;1-methylcyclopenta-1,3-diene;ruthenium;ruthenium(3+)
• SMILES: C=C(C)C=C(C)C.CC1=CC=CC1.[CH3-].[H]/[C-]=C(/C)C=C(C)C.[Ru+3].[Ru].c1cc[cH-]c1
• InChI: InChI=1S/C7H12.C7H11.C6H8.C5H5.CH3.2Ru/c2*1-6(2)5-7(3)4;1-6-4-2-3-5-6;1-2-4-5-3-1;;;/h5H,1H2,2-4H3;1,5H,2-4H3;2-4H,5H2,1H3;1-5H;1H3;;/q;-1;;2*-1;;+3
• InChIKey: MBNOOOHAQCDLAG-UHFFFAOYSA-N
• XLogP: 8.60
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.74
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;2,4-dimethylpenta-1,3-diene;2,4-dimethylpenta-1,3-diene;1-methylcyclopenta-1,3-diene;ruthenium;ruthenium(3+)?

The IUPAC name of carbanide;cyclopenta-1,3-diene;2,4-dimethylpenta-1,3-diene;2,4-dimethylpenta-1,3-diene;1-methylcyclopenta-1,3-diene;ruthenium;ruthenium(3+) (CID 161069959) is carbanide;cyclopenta-1,3-diene;2,4-dimethylpenta-1,3-diene;2,4-dimethylpenta-1,3-diene;1-methylcyclopenta-1,3-diene;ruthenium;ruthenium(3+).

What is the SMILES notation for carbanide;cyclopenta-1,3-diene;2,4-dimethylpenta-1,3-diene;2,4-dimethylpenta-1,3-diene;1-methylcyclopenta-1,3-diene;ruthenium;ruthenium(3+)?

The canonical SMILES for carbanide;cyclopenta-1,3-diene;2,4-dimethylpenta-1,3-diene;2,4-dimethylpenta-1,3-diene;1-methylcyclopenta-1,3-diene;ruthenium;ruthenium(3+) is C=C(C)C=C(C)C.CC1=CC=CC1.[CH3-].[H]/[C-]=C(/C)C=C(C)C.[Ru+3].[Ru].c1cc[cH-]c1.

What is the InChIKey of carbanide;cyclopenta-1,3-diene;2,4-dimethylpenta-1,3-diene;2,4-dimethylpenta-1,3-diene;1-methylcyclopenta-1,3-diene;ruthenium;ruthenium(3+)?

The InChIKey is MBNOOOHAQCDLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C7H11.C6H8.C5H5.CH3.2Ru/c2*1-6(2)5-7(3)4;1-6-4-2-3-5-6;1-2-4-5-3-1;;;/h5H,1H2,2-4H3;1,5H,2-4H3;2-4H,5H2,1H3;1-5H;1H3;;/q;-1;;2*-1;;+3.

What are the key properties of carbanide;cyclopenta-1,3-diene;2,4-dimethylpenta-1,3-diene;2,4-dimethylpenta-1,3-diene;1-methylcyclopenta-1,3-diene;ruthenium;ruthenium(3+)?

carbanide;cyclopenta-1,3-diene;2,4-dimethylpenta-1,3-diene;2,4-dimethylpenta-1,3-diene;1-methylcyclopenta-1,3-diene;ruthenium;ruthenium(3+) has a molecular weight of 553.74 g/mol, XLogP of 8.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;cyclopenta-1,3-diene;2,4-dimethylpenta-1,3-diene;2,4-dimethylpenta-1,3-diene;1-methylcyclopenta-1,3-diene;ruthenium;ruthenium(3+) is sourced from PubChem (CID 161069959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).