bis(cyclopenta-1,3-diene);methylidenezirconium(2+);dichloride

C11H12Cl2Zr-2 — CID 175980799

IUPACbis(cyclopenta-1,3-diene);methylidenezirconium(2+);dichloride
SMILESC=[Zr+2].[Cl-].[Cl-].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.CH2.2ClH.Zr/c2*1-2-4-5-3-1;;;;/h2*1-5H;1H2;2*1H;/q2*-1;;;;+2/p-2
InChIKeyVZPMVQLNDLDKJX-UHFFFAOYSA-L
MW306.35 g/mol
LogP-3.22
Rot. Bonds

About bis(cyclopenta-1,3-diene);methylidenezirconium(2+);dichloride

bis(cyclopenta-1,3-diene);methylidenezirconium(2+);dichloride (PubChem CID 175980799) has the molecular formula C11H12Cl2Zr-2 and a molecular weight of 306.35 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);methylidenezirconium(2+);dichloride.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);methylidenezirconium(2+);dichloride
PubChem CID175980799
Molecular FormulaC11H12Cl2Zr-2
Molecular Weight306.35 g/mol
Exact Mass303.94
IUPAC Namebis(cyclopenta-1,3-diene);methylidenezirconium(2+);dichloride
SMILESC=[Zr+2].[Cl-].[Cl-].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.CH2.2ClH.Zr/c2*1-2-4-5-3-1;;;;/h2*1-5H;1H2;2*1H;/q2*-1;;;;+2/p-2
InChIKeyVZPMVQLNDLDKJX-UHFFFAOYSA-L
XLogP-3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 5-3.22
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 bis(cyclopenta-1,3-diene);methylidenezirconium(2+);dichloride?
The IUPAC name of bis(cyclopenta-1,3-diene);methylidenezirconium(2+);dichloride (CID 175980799) is bis(cyclopenta-1,3-diene);methylidenezirconium(2+);dichloride.
What is the SMILES notation for bis(cyclopenta-1,3-diene);methylidenezirconium(2+);dichloride?
The canonical SMILES for bis(cyclopenta-1,3-diene);methylidenezirconium(2+);dichloride is C=[Zr+2].[Cl-].[Cl-].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);methylidenezirconium(2+);dichloride?
The InChIKey is VZPMVQLNDLDKJX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H5.CH2.2ClH.Zr/c2*1-2-4-5-3-1;;;;/h2*1-5H;1H2;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of bis(cyclopenta-1,3-diene);methylidenezirconium(2+);dichloride?
bis(cyclopenta-1,3-diene);methylidenezirconium(2+);dichloride has a molecular weight of 306.35 g/mol, XLogP of -3.22, 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);methylidenezirconium(2+);dichloride is sourced from PubChem (CID 175980799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).