cyclopenta-1,4-dien-1-ylbenzene;dichloro(dimethylsilylidene)zirconium;1,2,4-trimethylcyclopenta-1,3-diene

C21H26Cl2SiZr-2 — CID 154419852

IUPACcyclopenta-1,4-dien-1-ylbenzene;dichloro(dimethylsilylidene)zirconium;1,2,4-trimethylcyclopenta-1,3-diene
SMILESC[Si](C)=[Zr](Cl)Cl.Cc1cc(C)c(C)[cH-]1.c1ccc(-c2cc[cH-]c2)cc1
InChIInChI=1S/C11H9.C8H11.C2H6Si.2ClH.Zr/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-6-4-7(2)8(3)5-6;1-3-2;;;/h1-9H;4-5H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyMXWCBHSYQJJPEK-UHFFFAOYSA-L
MW468.66 g/mol
LogP7.57
Rot. Bonds1

About cyclopenta-1,4-dien-1-ylbenzene;dichloro(dimethylsilylidene)zirconium;1,2,4-trimethylcyclopenta-1,3-diene

cyclopenta-1,4-dien-1-ylbenzene;dichloro(dimethylsilylidene)zirconium;1,2,4-trimethylcyclopenta-1,3-diene (PubChem CID 154419852) has the molecular formula C21H26Cl2SiZr-2 and a molecular weight of 468.66 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-ylbenzene;dichloro(dimethylsilylidene)zirconium;1,2,4-trimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-ylbenzene;dichloro(dimethylsilylidene)zirconium;1,2,4-trimethylcyclopenta-1,3-diene
PubChem CID154419852
Molecular FormulaC21H26Cl2SiZr-2
Molecular Weight468.66 g/mol
Exact Mass466.02
IUPAC Namecyclopenta-1,4-dien-1-ylbenzene;dichloro(dimethylsilylidene)zirconium;1,2,4-trimethylcyclopenta-1,3-diene
SMILESC[Si](C)=[Zr](Cl)Cl.Cc1cc(C)c(C)[cH-]1.c1ccc(-c2cc[cH-]c2)cc1
InChIInChI=1S/C11H9.C8H11.C2H6Si.2ClH.Zr/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-6-4-7(2)8(3)5-6;1-3-2;;;/h1-9H;4-5H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyMXWCBHSYQJJPEK-UHFFFAOYSA-L
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.66
LogP ≤ 57.57
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'}

Analyze cyclopenta-1,4-dien-1-ylbenzene;dichloro(dimethylsilylidene)zirconium;1,2,4-trimethylcyclopenta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-ylbenzene;dichloro(dimethylsilylidene)zirconium;1,2,4-trimethylcyclopenta-1,3-diene?
The IUPAC name of cyclopenta-1,4-dien-1-ylbenzene;dichloro(dimethylsilylidene)zirconium;1,2,4-trimethylcyclopenta-1,3-diene (CID 154419852) is cyclopenta-1,4-dien-1-ylbenzene;dichloro(dimethylsilylidene)zirconium;1,2,4-trimethylcyclopenta-1,3-diene.
What is the SMILES notation for cyclopenta-1,4-dien-1-ylbenzene;dichloro(dimethylsilylidene)zirconium;1,2,4-trimethylcyclopenta-1,3-diene?
The canonical SMILES for cyclopenta-1,4-dien-1-ylbenzene;dichloro(dimethylsilylidene)zirconium;1,2,4-trimethylcyclopenta-1,3-diene is C[Si](C)=[Zr](Cl)Cl.Cc1cc(C)c(C)[cH-]1.c1ccc(-c2cc[cH-]c2)cc1.
What is the InChIKey of cyclopenta-1,4-dien-1-ylbenzene;dichloro(dimethylsilylidene)zirconium;1,2,4-trimethylcyclopenta-1,3-diene?
The InChIKey is MXWCBHSYQJJPEK-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H9.C8H11.C2H6Si.2ClH.Zr/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-6-4-7(2)8(3)5-6;1-3-2;;;/h1-9H;4-5H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of cyclopenta-1,4-dien-1-ylbenzene;dichloro(dimethylsilylidene)zirconium;1,2,4-trimethylcyclopenta-1,3-diene?
cyclopenta-1,4-dien-1-ylbenzene;dichloro(dimethylsilylidene)zirconium;1,2,4-trimethylcyclopenta-1,3-diene has a molecular weight of 468.66 g/mol, XLogP of 7.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-ylbenzene;dichloro(dimethylsilylidene)zirconium;1,2,4-trimethylcyclopenta-1,3-diene is sourced from PubChem (CID 154419852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).