bis(cyclopenta-1,3-diene);hydride;zirconium(2+);chloride

C10H13ClZr — CID 131664273

IUPACbis(cyclopenta-1,3-diene);hydride;zirconium(2+);chloride
SMILESC1=CCC=C1.C1=CCC=C1.[Cl-].[H-].[Zr+2]
InChIInChI=1S/2C5H6.ClH.Zr.H/c2*1-2-4-5-3-1;;;/h2*1-4H,5H2;1H;;/q;;;+2;-1/p-1
InChIKeyDZQGSNGTUNKNGR-UHFFFAOYSA-M
MW259.89 g/mol
LogP0.12
Rot. Bonds

About bis(cyclopenta-1,3-diene);hydride;zirconium(2+);chloride

bis(cyclopenta-1,3-diene);hydride;zirconium(2+);chloride (PubChem CID 131664273) has the molecular formula C10H13ClZr and a molecular weight of 259.89 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);hydride;zirconium(2+);chloride.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);hydride;zirconium(2+);chloride
PubChem CID131664273
Molecular FormulaC10H13ClZr
Molecular Weight259.89 g/mol
Exact Mass257.98
IUPAC Namebis(cyclopenta-1,3-diene);hydride;zirconium(2+);chloride
SMILESC1=CCC=C1.C1=CCC=C1.[Cl-].[H-].[Zr+2]
InChIInChI=1S/2C5H6.ClH.Zr.H/c2*1-2-4-5-3-1;;;/h2*1-4H,5H2;1H;;/q;;;+2;-1/p-1
InChIKeyDZQGSNGTUNKNGR-UHFFFAOYSA-M
XLogP0.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.89
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bis(cyclopenta-1,3-diene);hydride;zirconium(2+);chloride 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 bis(cyclopenta-1,3-diene);hydride;zirconium(2+);chloride?
The IUPAC name of bis(cyclopenta-1,3-diene);hydride;zirconium(2+);chloride (CID 131664273) is bis(cyclopenta-1,3-diene);hydride;zirconium(2+);chloride.
What is the SMILES notation for bis(cyclopenta-1,3-diene);hydride;zirconium(2+);chloride?
The canonical SMILES for bis(cyclopenta-1,3-diene);hydride;zirconium(2+);chloride is C1=CCC=C1.C1=CCC=C1.[Cl-].[H-].[Zr+2].
What is the InChIKey of bis(cyclopenta-1,3-diene);hydride;zirconium(2+);chloride?
The InChIKey is DZQGSNGTUNKNGR-UHFFFAOYSA-M. The full InChI is InChI=1S/2C5H6.ClH.Zr.H/c2*1-2-4-5-3-1;;;/h2*1-4H,5H2;1H;;/q;;;+2;-1/p-1.
What are the key properties of bis(cyclopenta-1,3-diene);hydride;zirconium(2+);chloride?
bis(cyclopenta-1,3-diene);hydride;zirconium(2+);chloride has a molecular weight of 259.89 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);hydride;zirconium(2+);chloride is sourced from PubChem (CID 131664273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).