Pentamethylruthenocene

C₁₅H₂₀Ru — CID 15248621

About Pentamethylruthenocene

Pentamethylruthenocene (PubChem CID 15248621) has the molecular formula C₁₅H₂₀Ru and a molecular weight of 301.39 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+).

Molecular Properties

• Compound Name: Pentamethylruthenocene
• PubChem CID: 15248621
• Molecular Formula: C₁₅H₂₀Ru
• Molecular Weight: 301.39 g/mol
• Exact Mass: 302.06
• IUPAC Name: cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)
• SMILES: Cc1c(C)c(C)[c-](C)c1C.[Ru+2].c1cc[cH-]c1
• InChI: InChI=1S/C10H15.C5H5.Ru/c1-6-7(2)9(4)10(5)8(6)3;1-2-4-5-3-1;/h1-5H3;1-5H;/q2*-1;+2
• InChIKey: NMPXCALVUIDNLX-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 0.00 Ų
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.39
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Pentamethylruthenocene?

The IUPAC name of Pentamethylruthenocene (CID 15248621) is cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+).

What is the SMILES notation for Pentamethylruthenocene?

The canonical SMILES for Pentamethylruthenocene is Cc1c(C)c(C)[c-](C)c1C.[Ru+2].c1cc[cH-]c1.

What is the InChIKey of Pentamethylruthenocene?

The InChIKey is NMPXCALVUIDNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.C5H5.Ru/c1-6-7(2)9(4)10(5)8(6)3;1-2-4-5-3-1;/h1-5H3;1-5H;/q2*-1;+2.

What are the key properties of Pentamethylruthenocene?

Pentamethylruthenocene has a molecular weight of 301.39 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Pentamethylruthenocene is sourced from PubChem (CID 15248621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15248621 — identifiers, structure, computed properties (public domain)

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