5-ethyl-2-methylcyclopenta-1,3-diene;zirconium

C8H11Zr- — CID 154080845

IUPAC5-ethyl-2-methylcyclopenta-1,3-diene;zirconium
SMILESCC[c-]1ccc(C)c1.[Zr]
InChIInChI=1S/C8H11.Zr/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;/q-1;
InChIKeyOSAWHBRNYFNFHE-UHFFFAOYSA-N
MW198.40 g/mol
LogP2.27
Rot. Bonds1

About 5-ethyl-2-methylcyclopenta-1,3-diene;zirconium

5-ethyl-2-methylcyclopenta-1,3-diene;zirconium (PubChem CID 154080845) has the molecular formula C8H11Zr- and a molecular weight of 198.40 g/mol. Its IUPAC name is 5-ethyl-2-methylcyclopenta-1,3-diene;zirconium.

Molecular Properties

Compound Name5-ethyl-2-methylcyclopenta-1,3-diene;zirconium
PubChem CID154080845
Molecular FormulaC8H11Zr-
Molecular Weight198.40 g/mol
Exact Mass196.99
IUPAC Name5-ethyl-2-methylcyclopenta-1,3-diene;zirconium
SMILESCC[c-]1ccc(C)c1.[Zr]
InChIInChI=1S/C8H11.Zr/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;/q-1;
InChIKeyOSAWHBRNYFNFHE-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.40
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methylcyclopenta-1,3-diene;zirconium?
The IUPAC name of 5-ethyl-2-methylcyclopenta-1,3-diene;zirconium (CID 154080845) is 5-ethyl-2-methylcyclopenta-1,3-diene;zirconium.
What is the SMILES notation for 5-ethyl-2-methylcyclopenta-1,3-diene;zirconium?
The canonical SMILES for 5-ethyl-2-methylcyclopenta-1,3-diene;zirconium is CC[c-]1ccc(C)c1.[Zr].
What is the InChIKey of 5-ethyl-2-methylcyclopenta-1,3-diene;zirconium?
The InChIKey is OSAWHBRNYFNFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.Zr/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;/q-1;.
What are the key properties of 5-ethyl-2-methylcyclopenta-1,3-diene;zirconium?
5-ethyl-2-methylcyclopenta-1,3-diene;zirconium has a molecular weight of 198.40 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methylcyclopenta-1,3-diene;zirconium is sourced from PubChem (CID 154080845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).