bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+)

C14H18Ru — CID 22138507

IUPACbis(2-ethylcyclopenta-1,3-diene);ruthenium(2+)
SMILESCCC1=[C-]CC=C1.CCC1=[C-]CC=C1.[Ru+2]
InChIInChI=1S/2C7H9.Ru/c2*1-2-7-5-3-4-6-7;/h2*3,5H,2,4H2,1H3;/q2*-1;+2
InChIKeyXUZWCRWRRXUMJF-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.17
Rot. Bonds2

About bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+)

bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+) (PubChem CID 22138507) has the molecular formula C14H18Ru and a molecular weight of 287.37 g/mol. Its IUPAC name is bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+).

Molecular Properties

Compound Namebis(2-ethylcyclopenta-1,3-diene);ruthenium(2+)
PubChem CID22138507
Molecular FormulaC14H18Ru
Molecular Weight287.37 g/mol
Exact Mass288.05
IUPAC Namebis(2-ethylcyclopenta-1,3-diene);ruthenium(2+)
SMILESCCC1=[C-]CC=C1.CCC1=[C-]CC=C1.[Ru+2]
InChIInChI=1S/2C7H9.Ru/c2*1-2-7-5-3-4-6-7;/h2*3,5H,2,4H2,1H3;/q2*-1;+2
InChIKeyXUZWCRWRRXUMJF-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+)?
The IUPAC name of bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+) (CID 22138507) is bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+).
What is the SMILES notation for bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+)?
The canonical SMILES for bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+) is CCC1=[C-]CC=C1.CCC1=[C-]CC=C1.[Ru+2].
What is the InChIKey of bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+)?
The InChIKey is XUZWCRWRRXUMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9.Ru/c2*1-2-7-5-3-4-6-7;/h2*3,5H,2,4H2,1H3;/q2*-1;+2.
What are the key properties of bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+)?
bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+) has a molecular weight of 287.37 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+) is sourced from PubChem (CID 22138507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).