cyclopentane;5-ethynylcyclopenta-1,3-diene;ruthenium

C12H10Ru-6 — CID 173281813

IUPACcyclopentane;5-ethynylcyclopenta-1,3-diene;ruthenium
SMILESC#C[c-]1cccc1.[Ru].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C7H5.C5H5.Ru/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h1,3-6H;1-5H;/q-1;-5;
InChIKeyQTGUWQYPXLRGKK-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.79
Rot. Bonds

About cyclopentane;5-ethynylcyclopenta-1,3-diene;ruthenium

cyclopentane;5-ethynylcyclopenta-1,3-diene;ruthenium (PubChem CID 173281813) has the molecular formula C12H10Ru-6 and a molecular weight of 255.28 g/mol. Its IUPAC name is cyclopentane;5-ethynylcyclopenta-1,3-diene;ruthenium.

Molecular Properties

Compound Namecyclopentane;5-ethynylcyclopenta-1,3-diene;ruthenium
PubChem CID173281813
Molecular FormulaC12H10Ru-6
Molecular Weight255.28 g/mol
Exact Mass255.99
IUPAC Namecyclopentane;5-ethynylcyclopenta-1,3-diene;ruthenium
SMILESC#C[c-]1cccc1.[Ru].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C7H5.C5H5.Ru/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h1,3-6H;1-5H;/q-1;-5;
InChIKeyQTGUWQYPXLRGKK-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;5-ethynylcyclopenta-1,3-diene;ruthenium?
The IUPAC name of cyclopentane;5-ethynylcyclopenta-1,3-diene;ruthenium (CID 173281813) is cyclopentane;5-ethynylcyclopenta-1,3-diene;ruthenium.
What is the SMILES notation for cyclopentane;5-ethynylcyclopenta-1,3-diene;ruthenium?
The canonical SMILES for cyclopentane;5-ethynylcyclopenta-1,3-diene;ruthenium is C#C[c-]1cccc1.[Ru].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;5-ethynylcyclopenta-1,3-diene;ruthenium?
The InChIKey is QTGUWQYPXLRGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5.C5H5.Ru/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h1,3-6H;1-5H;/q-1;-5;.
What are the key properties of cyclopentane;5-ethynylcyclopenta-1,3-diene;ruthenium?
cyclopentane;5-ethynylcyclopenta-1,3-diene;ruthenium has a molecular weight of 255.28 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;5-ethynylcyclopenta-1,3-diene;ruthenium is sourced from PubChem (CID 173281813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).