bis(2-methyl-1H-inden-1-ide);zirconium(4+);dichloride

C20H18Cl2Zr — CID 22909881

IUPACbis(2-methyl-1H-inden-1-ide);zirconium(4+);dichloride
SMILESCc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C10H9.2ClH.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;;;/h2*2-7H,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyBGGKSZPSSRGVTP-UHFFFAOYSA-L
MW420.49 g/mol
LogP-0.26
Rot. Bonds

About bis(2-methyl-1H-inden-1-ide);zirconium(4+);dichloride

bis(2-methyl-1H-inden-1-ide);zirconium(4+);dichloride (PubChem CID 22909881) has the molecular formula C20H18Cl2Zr and a molecular weight of 420.49 g/mol. Its IUPAC name is bis(2-methyl-1H-inden-1-ide);zirconium(4+);dichloride.

Molecular Properties

Compound Namebis(2-methyl-1H-inden-1-ide);zirconium(4+);dichloride
PubChem CID22909881
Molecular FormulaC20H18Cl2Zr
Molecular Weight420.49 g/mol
Exact Mass417.98
IUPAC Namebis(2-methyl-1H-inden-1-ide);zirconium(4+);dichloride
SMILESCc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C10H9.2ClH.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;;;/h2*2-7H,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyBGGKSZPSSRGVTP-UHFFFAOYSA-L
XLogP-0.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 5-0.26
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(2-methyl-1H-inden-1-ide);zirconium(4+);dichloride?
The IUPAC name of bis(2-methyl-1H-inden-1-ide);zirconium(4+);dichloride (CID 22909881) is bis(2-methyl-1H-inden-1-ide);zirconium(4+);dichloride.
What is the SMILES notation for bis(2-methyl-1H-inden-1-ide);zirconium(4+);dichloride?
The canonical SMILES for bis(2-methyl-1H-inden-1-ide);zirconium(4+);dichloride is Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of bis(2-methyl-1H-inden-1-ide);zirconium(4+);dichloride?
The InChIKey is BGGKSZPSSRGVTP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H9.2ClH.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;;;/h2*2-7H,1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(2-methyl-1H-inden-1-ide);zirconium(4+);dichloride?
bis(2-methyl-1H-inden-1-ide);zirconium(4+);dichloride has a molecular weight of 420.49 g/mol, XLogP of -0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-1H-inden-1-ide);zirconium(4+);dichloride is sourced from PubChem (CID 22909881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).