bis(1-propan-2-ylinden-1-ide);zirconium(4+);dichloride

C24H26Cl2Zr — CID 173246925

IUPACbis(1-propan-2-ylinden-1-ide);zirconium(4+);dichloride
SMILESCC(C)[c-]1ccc2ccccc21.CC(C)[c-]1ccc2ccccc21.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C12H13.2ClH.Zr/c2*1-9(2)11-8-7-10-5-3-4-6-12(10)11;;;/h2*3-9H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyYPMAXIZDENETFD-UHFFFAOYSA-L
MW476.60 g/mol
LogP1.37
Rot. Bonds2

About bis(1-propan-2-ylinden-1-ide);zirconium(4+);dichloride

bis(1-propan-2-ylinden-1-ide);zirconium(4+);dichloride (PubChem CID 173246925) has the molecular formula C24H26Cl2Zr and a molecular weight of 476.60 g/mol. Its IUPAC name is bis(1-propan-2-ylinden-1-ide);zirconium(4+);dichloride.

Molecular Properties

Compound Namebis(1-propan-2-ylinden-1-ide);zirconium(4+);dichloride
PubChem CID173246925
Molecular FormulaC24H26Cl2Zr
Molecular Weight476.60 g/mol
Exact Mass474.05
IUPAC Namebis(1-propan-2-ylinden-1-ide);zirconium(4+);dichloride
SMILESCC(C)[c-]1ccc2ccccc21.CC(C)[c-]1ccc2ccccc21.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C12H13.2ClH.Zr/c2*1-9(2)11-8-7-10-5-3-4-6-12(10)11;;;/h2*3-9H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyYPMAXIZDENETFD-UHFFFAOYSA-L
XLogP1.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 51.37
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(1-propan-2-ylinden-1-ide);zirconium(4+);dichloride?
The IUPAC name of bis(1-propan-2-ylinden-1-ide);zirconium(4+);dichloride (CID 173246925) is bis(1-propan-2-ylinden-1-ide);zirconium(4+);dichloride.
What is the SMILES notation for bis(1-propan-2-ylinden-1-ide);zirconium(4+);dichloride?
The canonical SMILES for bis(1-propan-2-ylinden-1-ide);zirconium(4+);dichloride is CC(C)[c-]1ccc2ccccc21.CC(C)[c-]1ccc2ccccc21.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of bis(1-propan-2-ylinden-1-ide);zirconium(4+);dichloride?
The InChIKey is YPMAXIZDENETFD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H13.2ClH.Zr/c2*1-9(2)11-8-7-10-5-3-4-6-12(10)11;;;/h2*3-9H,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(1-propan-2-ylinden-1-ide);zirconium(4+);dichloride?
bis(1-propan-2-ylinden-1-ide);zirconium(4+);dichloride has a molecular weight of 476.60 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-propan-2-ylinden-1-ide);zirconium(4+);dichloride is sourced from PubChem (CID 173246925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).