1-(2,4-dimethylpenta-1,3-dienyl)-5-ethylcyclopenta-1,3-diene;ruthenium(1+)

C14H19Ru — CID 151014593

IUPAC1-(2,4-dimethylpenta-1,3-dienyl)-5-ethylcyclopenta-1,3-diene;ruthenium(1+)
SMILESCC[c-]1cccc1C=C(C)C=C(C)C.[Ru+]
InChIInChI=1S/C14H19.Ru/c1-5-13-7-6-8-14(13)10-12(4)9-11(2)3;/h6-10H,5H2,1-4H3;/q-1;+1
InChIKeyLWUOETMZXSGVJC-UHFFFAOYSA-N
MW288.38 g/mol
LogP4.33
Rot. Bonds3

About 1-(2,4-dimethylpenta-1,3-dienyl)-5-ethylcyclopenta-1,3-diene;ruthenium(1+)

1-(2,4-dimethylpenta-1,3-dienyl)-5-ethylcyclopenta-1,3-diene;ruthenium(1+) (PubChem CID 151014593) has the molecular formula C14H19Ru and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-(2,4-dimethylpenta-1,3-dienyl)-5-ethylcyclopenta-1,3-diene;ruthenium(1+).

Molecular Properties

Compound Name1-(2,4-dimethylpenta-1,3-dienyl)-5-ethylcyclopenta-1,3-diene;ruthenium(1+)
PubChem CID151014593
Molecular FormulaC14H19Ru
Molecular Weight288.38 g/mol
Exact Mass289.05
IUPAC Name1-(2,4-dimethylpenta-1,3-dienyl)-5-ethylcyclopenta-1,3-diene;ruthenium(1+)
SMILESCC[c-]1cccc1C=C(C)C=C(C)C.[Ru+]
InChIInChI=1S/C14H19.Ru/c1-5-13-7-6-8-14(13)10-12(4)9-11(2)3;/h6-10H,5H2,1-4H3;/q-1;+1
InChIKeyLWUOETMZXSGVJC-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(2,4-dimethylpenta-1,3-dienyl)-5-ethylcyclopenta-1,3-diene;ruthenium(1+) 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 1-(2,4-dimethylpenta-1,3-dienyl)-5-ethylcyclopenta-1,3-diene;ruthenium(1+)?
The IUPAC name of 1-(2,4-dimethylpenta-1,3-dienyl)-5-ethylcyclopenta-1,3-diene;ruthenium(1+) (CID 151014593) is 1-(2,4-dimethylpenta-1,3-dienyl)-5-ethylcyclopenta-1,3-diene;ruthenium(1+).
What is the SMILES notation for 1-(2,4-dimethylpenta-1,3-dienyl)-5-ethylcyclopenta-1,3-diene;ruthenium(1+)?
The canonical SMILES for 1-(2,4-dimethylpenta-1,3-dienyl)-5-ethylcyclopenta-1,3-diene;ruthenium(1+) is CC[c-]1cccc1C=C(C)C=C(C)C.[Ru+].
What is the InChIKey of 1-(2,4-dimethylpenta-1,3-dienyl)-5-ethylcyclopenta-1,3-diene;ruthenium(1+)?
The InChIKey is LWUOETMZXSGVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19.Ru/c1-5-13-7-6-8-14(13)10-12(4)9-11(2)3;/h6-10H,5H2,1-4H3;/q-1;+1.
What are the key properties of 1-(2,4-dimethylpenta-1,3-dienyl)-5-ethylcyclopenta-1,3-diene;ruthenium(1+)?
1-(2,4-dimethylpenta-1,3-dienyl)-5-ethylcyclopenta-1,3-diene;ruthenium(1+) has a molecular weight of 288.38 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpenta-1,3-dienyl)-5-ethylcyclopenta-1,3-diene;ruthenium(1+) is sourced from PubChem (CID 151014593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).