Pentamethylcyclopentadienylzirconium(IV) trichloride, 97%

C10H15Cl3Zr — CID 90475860

IUPAC—
SMILESC[C]1C(C)=C(C)C(C)=C1C.Cl[Zr](Cl)Cl
InChIInChI=1S/C10H15.3ClH.Zr/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;3*1H;/q;;;;+3/p-3
InChIKeyFOKGVHRHBBEPPI-UHFFFAOYSA-K
MW332.81 g/mol
LogP5.33
Rot. Bonds

About Pentamethylcyclopentadienylzirconium(IV) trichloride, 97%

Pentamethylcyclopentadienylzirconium(IV) trichloride, 97% (PubChem CID 90475860) has the molecular formula C10H15Cl3Zr and a molecular weight of 332.81 g/mol.

Molecular Properties

Compound NamePentamethylcyclopentadienylzirconium(IV) trichloride, 97%
PubChem CID90475860
Molecular FormulaC10H15Cl3Zr
Molecular Weight332.81 g/mol
Exact Mass329.93
IUPAC Name—
SMILESC[C]1C(C)=C(C)C(C)=C1C.Cl[Zr](Cl)Cl
InChIInChI=1S/C10H15.3ClH.Zr/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;3*1H;/q;;;;+3/p-3
InChIKeyFOKGVHRHBBEPPI-UHFFFAOYSA-K
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.81
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of Pentamethylcyclopentadienylzirconium(IV) trichloride, 97%?
The IUPAC name of Pentamethylcyclopentadienylzirconium(IV) trichloride, 97% (CID 90475860) is not available.
What is the SMILES notation for Pentamethylcyclopentadienylzirconium(IV) trichloride, 97%?
The canonical SMILES for Pentamethylcyclopentadienylzirconium(IV) trichloride, 97% is C[C]1C(C)=C(C)C(C)=C1C.Cl[Zr](Cl)Cl.
What is the InChIKey of Pentamethylcyclopentadienylzirconium(IV) trichloride, 97%?
The InChIKey is FOKGVHRHBBEPPI-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H15.3ClH.Zr/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;3*1H;/q;;;;+3/p-3.
What are the key properties of Pentamethylcyclopentadienylzirconium(IV) trichloride, 97%?
Pentamethylcyclopentadienylzirconium(IV) trichloride, 97% has a molecular weight of 332.81 g/mol, XLogP of 5.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Pentamethylcyclopentadienylzirconium(IV) trichloride, 97% is sourced from PubChem (CID 90475860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).