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

C22H22Cl2Zr2 — CID 18538203

IUPACbis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
SMILESCc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2].[Zr+2]
InChIInChI=1S/2C11H11.2ClH.2Zr/c2*1-8-6-10-5-3-4-9(2)11(10)7-8;;;;/h2*3-7H,1-2H3;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyYHWCPYJOESCXGY-UHFFFAOYSA-L
MW539.77 g/mol
LogP0.35
Rot. Bonds

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

bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride (PubChem CID 18538203) has the molecular formula C22H22Cl2Zr2 and a molecular weight of 539.77 g/mol. Its IUPAC name is bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride.

Molecular Properties

Compound Namebis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
PubChem CID18538203
Molecular FormulaC22H22Cl2Zr2
Molecular Weight539.77 g/mol
Exact Mass535.92
IUPAC Namebis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
SMILESCc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2].[Zr+2]
InChIInChI=1S/2C11H11.2ClH.2Zr/c2*1-8-6-10-5-3-4-9(2)11(10)7-8;;;;/h2*3-7H,1-2H3;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyYHWCPYJOESCXGY-UHFFFAOYSA-L
XLogP0.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.77
LogP ≤ 50.35
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(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride?
The IUPAC name of bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride (CID 18538203) is bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride.
What is the SMILES notation for bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride?
The canonical SMILES for bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride is Cc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2].[Zr+2].
What is the InChIKey of bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride?
The InChIKey is YHWCPYJOESCXGY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H11.2ClH.2Zr/c2*1-8-6-10-5-3-4-9(2)11(10)7-8;;;;/h2*3-7H,1-2H3;2*1H;;/q2*-1;;;2*+2/p-2.
What are the key properties of bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride?
bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride has a molecular weight of 539.77 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride is sourced from PubChem (CID 18538203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).