5-chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium

C10H15ClZr — CID 158771869

IUPAC5-chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium
SMILESCC1=C(C)C(C)(Cl)C(C)=C1C.[Zr]
InChIInChI=1S/C10H15Cl.Zr/c1-6-7(2)9(4)10(5,11)8(6)3;/h1-5H3;
InChIKeyIPYXRAGADMFTEN-UHFFFAOYSA-N
MW261.91 g/mol
LogP3.67
Rot. Bonds

About 5-chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium

5-chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium (PubChem CID 158771869) has the molecular formula C10H15ClZr and a molecular weight of 261.91 g/mol. Its IUPAC name is 5-chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium.

Molecular Properties

Compound Name5-chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium
PubChem CID158771869
Molecular FormulaC10H15ClZr
Molecular Weight261.91 g/mol
Exact Mass259.99
IUPAC Name5-chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium
SMILESCC1=C(C)C(C)(Cl)C(C)=C1C.[Zr]
InChIInChI=1S/C10H15Cl.Zr/c1-6-7(2)9(4)10(5,11)8(6)3;/h1-5H3;
InChIKeyIPYXRAGADMFTEN-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.91
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium 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 5-chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium?
The IUPAC name of 5-chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium (CID 158771869) is 5-chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium.
What is the SMILES notation for 5-chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium?
The canonical SMILES for 5-chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium is CC1=C(C)C(C)(Cl)C(C)=C1C.[Zr].
What is the InChIKey of 5-chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium?
The InChIKey is IPYXRAGADMFTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl.Zr/c1-6-7(2)9(4)10(5,11)8(6)3;/h1-5H3;.
What are the key properties of 5-chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium?
5-chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium has a molecular weight of 261.91 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium is sourced from PubChem (CID 158771869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).