cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-propylcyclopenta-1,3-diene

C15H22SiZr — CID 173079907

IUPACcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-propylcyclopenta-1,3-diene
SMILESCCCC1=CC[C-]=C1.C[Si](C)=[Zr+2].[C-]1=CC=CC1
InChIInChI=1S/C8H11.C5H5.C2H6Si.Zr/c1-2-5-8-6-3-4-7-8;1-2-4-5-3-1;1-3-2;/h6-7H,2-3,5H2,1H3;1-3H,4H2;1-2H3;/q2*-1;;+2
InChIKeyFDXKINXYXLEGBD-UHFFFAOYSA-N
MW321.65 g/mol
LogP4.57
Rot. Bonds2

About cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-propylcyclopenta-1,3-diene

cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-propylcyclopenta-1,3-diene (PubChem CID 173079907) has the molecular formula C15H22SiZr and a molecular weight of 321.65 g/mol. Its IUPAC name is cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-propylcyclopenta-1,3-diene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-propylcyclopenta-1,3-diene
PubChem CID173079907
Molecular FormulaC15H22SiZr
Molecular Weight321.65 g/mol
Exact Mass320.05
IUPAC Namecyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-propylcyclopenta-1,3-diene
SMILESCCCC1=CC[C-]=C1.C[Si](C)=[Zr+2].[C-]1=CC=CC1
InChIInChI=1S/C8H11.C5H5.C2H6Si.Zr/c1-2-5-8-6-3-4-7-8;1-2-4-5-3-1;1-3-2;/h6-7H,2-3,5H2,1H3;1-3H,4H2;1-2H3;/q2*-1;;+2
InChIKeyFDXKINXYXLEGBD-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.65
LogP ≤ 54.57
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 cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-propylcyclopenta-1,3-diene?
The IUPAC name of cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-propylcyclopenta-1,3-diene (CID 173079907) is cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-propylcyclopenta-1,3-diene.
What is the SMILES notation for cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-propylcyclopenta-1,3-diene?
The canonical SMILES for cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-propylcyclopenta-1,3-diene is CCCC1=CC[C-]=C1.C[Si](C)=[Zr+2].[C-]1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-propylcyclopenta-1,3-diene?
The InChIKey is FDXKINXYXLEGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.C5H5.C2H6Si.Zr/c1-2-5-8-6-3-4-7-8;1-2-4-5-3-1;1-3-2;/h6-7H,2-3,5H2,1H3;1-3H,4H2;1-2H3;/q2*-1;;+2.
What are the key properties of cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-propylcyclopenta-1,3-diene?
cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-propylcyclopenta-1,3-diene has a molecular weight of 321.65 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-propylcyclopenta-1,3-diene is sourced from PubChem (CID 173079907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).