1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride

C10H16Cl2Zr — CID 159649254

IUPAC1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride
SMILESCC1=CCC(C(C)(C)C)=C1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C10H16.2ClH.Zr/c1-8-5-6-9(7-8)10(2,3)4;;;/h5,7H,6H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyLQWFMGNMHQGGOI-UHFFFAOYSA-L
MW298.37 g/mol
LogP-2.69
Rot. Bonds

About 1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride

1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride (PubChem CID 159649254) has the molecular formula C10H16Cl2Zr and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride.

Molecular Properties

Compound Name1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride
PubChem CID159649254
Molecular FormulaC10H16Cl2Zr
Molecular Weight298.37 g/mol
Exact Mass295.97
IUPAC Name1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride
SMILESCC1=CCC(C(C)(C)C)=C1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C10H16.2ClH.Zr/c1-8-5-6-9(7-8)10(2,3)4;;;/h5,7H,6H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyLQWFMGNMHQGGOI-UHFFFAOYSA-L
XLogP-2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-2.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride 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-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride?
The IUPAC name of 1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride (CID 159649254) is 1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride.
What is the SMILES notation for 1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride?
The canonical SMILES for 1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride is CC1=CCC(C(C)(C)C)=C1.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of 1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride?
The InChIKey is LQWFMGNMHQGGOI-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H16.2ClH.Zr/c1-8-5-6-9(7-8)10(2,3)4;;;/h5,7H,6H2,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of 1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride?
1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride has a molecular weight of 298.37 g/mol, XLogP of -2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride is sourced from PubChem (CID 159649254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).