bis(2-methylpropane);zirconium(2+);dihydrochloride

C8H20Cl2Zr — CID 175566303

IUPACbis(2-methylpropane);zirconium(2+);dihydrochloride
SMILESC[C-](C)C.C[C-](C)C.Cl.Cl.[Zr+2]
InChIInChI=1S/2C4H9.2ClH.Zr/c2*1-4(2)3;;;/h2*1-3H3;2*1H;/q2*-1;;;+2
InChIKeyJPKYRQTUOQRSPL-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.08
Rot. Bonds

About bis(2-methylpropane);zirconium(2+);dihydrochloride

bis(2-methylpropane);zirconium(2+);dihydrochloride (PubChem CID 175566303) has the molecular formula C8H20Cl2Zr and a molecular weight of 278.38 g/mol. Its IUPAC name is bis(2-methylpropane);zirconium(2+);dihydrochloride.

Molecular Properties

Compound Namebis(2-methylpropane);zirconium(2+);dihydrochloride
PubChem CID175566303
Molecular FormulaC8H20Cl2Zr
Molecular Weight278.38 g/mol
Exact Mass276.00
IUPAC Namebis(2-methylpropane);zirconium(2+);dihydrochloride
SMILESC[C-](C)C.C[C-](C)C.Cl.Cl.[Zr+2]
InChIInChI=1S/2C4H9.2ClH.Zr/c2*1-4(2)3;;;/h2*1-3H3;2*1H;/q2*-1;;;+2
InChIKeyJPKYRQTUOQRSPL-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.08
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-methylpropane);zirconium(2+);dihydrochloride?
The IUPAC name of bis(2-methylpropane);zirconium(2+);dihydrochloride (CID 175566303) is bis(2-methylpropane);zirconium(2+);dihydrochloride.
What is the SMILES notation for bis(2-methylpropane);zirconium(2+);dihydrochloride?
The canonical SMILES for bis(2-methylpropane);zirconium(2+);dihydrochloride is C[C-](C)C.C[C-](C)C.Cl.Cl.[Zr+2].
What is the InChIKey of bis(2-methylpropane);zirconium(2+);dihydrochloride?
The InChIKey is JPKYRQTUOQRSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.2ClH.Zr/c2*1-4(2)3;;;/h2*1-3H3;2*1H;/q2*-1;;;+2.
What are the key properties of bis(2-methylpropane);zirconium(2+);dihydrochloride?
bis(2-methylpropane);zirconium(2+);dihydrochloride has a molecular weight of 278.38 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropane);zirconium(2+);dihydrochloride is sourced from PubChem (CID 175566303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).