bis(3-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride

C20H18Cl2Zr2 — CID 18474436

IUPACbis(3-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
SMILESCc1c[cH-]c2ccccc12.Cc1c[cH-]c2ccccc12.[Cl-].[Cl-].[Zr+2].[Zr+2]
InChIInChI=1S/2C10H9.2ClH.2Zr/c2*1-8-6-7-9-4-2-3-5-10(8)9;;;;/h2*2-7H,1H3;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyAZMYEEHQVAPJNH-UHFFFAOYSA-L
MW511.72 g/mol
LogP-0.26
Rot. Bonds

About bis(3-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride

bis(3-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride (PubChem CID 18474436) has the molecular formula C20H18Cl2Zr2 and a molecular weight of 511.72 g/mol. Its IUPAC name is bis(3-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride.

Molecular Properties

Compound Namebis(3-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
PubChem CID18474436
Molecular FormulaC20H18Cl2Zr2
Molecular Weight511.72 g/mol
Exact Mass507.89
IUPAC Namebis(3-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
SMILESCc1c[cH-]c2ccccc12.Cc1c[cH-]c2ccccc12.[Cl-].[Cl-].[Zr+2].[Zr+2]
InChIInChI=1S/2C10H9.2ClH.2Zr/c2*1-8-6-7-9-4-2-3-5-10(8)9;;;;/h2*2-7H,1H3;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyAZMYEEHQVAPJNH-UHFFFAOYSA-L
XLogP-0.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.72
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(3-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride?
The IUPAC name of bis(3-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride (CID 18474436) is bis(3-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride.
What is the SMILES notation for bis(3-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride?
The canonical SMILES for bis(3-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride is Cc1c[cH-]c2ccccc12.Cc1c[cH-]c2ccccc12.[Cl-].[Cl-].[Zr+2].[Zr+2].
What is the InChIKey of bis(3-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride?
The InChIKey is AZMYEEHQVAPJNH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H9.2ClH.2Zr/c2*1-8-6-7-9-4-2-3-5-10(8)9;;;;/h2*2-7H,1H3;2*1H;;/q2*-1;;;2*+2/p-2.
What are the key properties of bis(3-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride?
bis(3-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride has a molecular weight of 511.72 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(3-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride is sourced from PubChem (CID 18474436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).