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

C14H20Ru — CID 12730332

IUPACbis(1-ethylcyclopenta-1,3-diene);ruthenium
SMILESCCC1=CC=CC1.CCC1=CC=CC1.[Ru]
InChIInChI=1S/2C7H10.Ru/c2*1-2-7-5-3-4-6-7;/h2*3-5H,2,6H2,1H3;
InChIKeyURJDFFZSHHUWMY-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.56
Rot. Bonds2

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

bis(1-ethylcyclopenta-1,3-diene);ruthenium (PubChem CID 12730332) has the molecular formula C14H20Ru and a molecular weight of 289.38 g/mol. Its IUPAC name is bis(1-ethylcyclopenta-1,3-diene);ruthenium.

Molecular Properties

Compound Namebis(1-ethylcyclopenta-1,3-diene);ruthenium
PubChem CID12730332
Molecular FormulaC14H20Ru
Molecular Weight289.38 g/mol
Exact Mass290.06
IUPAC Namebis(1-ethylcyclopenta-1,3-diene);ruthenium
SMILESCCC1=CC=CC1.CCC1=CC=CC1.[Ru]
InChIInChI=1S/2C7H10.Ru/c2*1-2-7-5-3-4-6-7;/h2*3-5H,2,6H2,1H3;
InChIKeyURJDFFZSHHUWMY-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(1-ethylcyclopenta-1,3-diene);ruthenium?
The IUPAC name of bis(1-ethylcyclopenta-1,3-diene);ruthenium (CID 12730332) is bis(1-ethylcyclopenta-1,3-diene);ruthenium.
What is the SMILES notation for bis(1-ethylcyclopenta-1,3-diene);ruthenium?
The canonical SMILES for bis(1-ethylcyclopenta-1,3-diene);ruthenium is CCC1=CC=CC1.CCC1=CC=CC1.[Ru].
What is the InChIKey of bis(1-ethylcyclopenta-1,3-diene);ruthenium?
The InChIKey is URJDFFZSHHUWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10.Ru/c2*1-2-7-5-3-4-6-7;/h2*3-5H,2,6H2,1H3;.
What are the key properties of bis(1-ethylcyclopenta-1,3-diene);ruthenium?
bis(1-ethylcyclopenta-1,3-diene);ruthenium has a molecular weight of 289.38 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethylcyclopenta-1,3-diene);ruthenium is sourced from PubChem (CID 12730332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).