bis(2,3-dimethylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+)

C16H24SiZr — CID 18330734

IUPACbis(2,3-dimethylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+)
SMILESCC1=[C-]CC=C1C.CC1=[C-]CC=C1C.C[Si](C)=[Zr+2]
InChIInChI=1S/2C7H9.C2H6Si.Zr/c2*1-6-4-3-5-7(6)2;1-3-2;/h2*4H,3H2,1-2H3;1-2H3;/q2*-1;;+2
InChIKeyNBOCJYYTSPUGIZ-UHFFFAOYSA-N
MW335.68 g/mol
LogP4.96
Rot. Bonds

About bis(2,3-dimethylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+)

bis(2,3-dimethylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+) (PubChem CID 18330734) has the molecular formula C16H24SiZr and a molecular weight of 335.68 g/mol. Its IUPAC name is bis(2,3-dimethylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+).

Molecular Properties

Compound Namebis(2,3-dimethylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+)
PubChem CID18330734
Molecular FormulaC16H24SiZr
Molecular Weight335.68 g/mol
Exact Mass334.07
IUPAC Namebis(2,3-dimethylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+)
SMILESCC1=[C-]CC=C1C.CC1=[C-]CC=C1C.C[Si](C)=[Zr+2]
InChIInChI=1S/2C7H9.C2H6Si.Zr/c2*1-6-4-3-5-7(6)2;1-3-2;/h2*4H,3H2,1-2H3;1-2H3;/q2*-1;;+2
InChIKeyNBOCJYYTSPUGIZ-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.68
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+)?
The IUPAC name of bis(2,3-dimethylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+) (CID 18330734) is bis(2,3-dimethylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+).
What is the SMILES notation for bis(2,3-dimethylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+)?
The canonical SMILES for bis(2,3-dimethylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+) is CC1=[C-]CC=C1C.CC1=[C-]CC=C1C.C[Si](C)=[Zr+2].
What is the InChIKey of bis(2,3-dimethylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+)?
The InChIKey is NBOCJYYTSPUGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9.C2H6Si.Zr/c2*1-6-4-3-5-7(6)2;1-3-2;/h2*4H,3H2,1-2H3;1-2H3;/q2*-1;;+2.
What are the key properties of bis(2,3-dimethylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+)?
bis(2,3-dimethylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+) has a molecular weight of 335.68 g/mol, XLogP of 4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+) is sourced from PubChem (CID 18330734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).