dichloro(dimethylsilylidene)zirconium;bis(1,3-diethylcyclopenta-1,3-diene)

C20H32Cl2SiZr-2 — CID 154481187

IUPACdichloro(dimethylsilylidene)zirconium;bis(1,3-diethylcyclopenta-1,3-diene)
SMILESCCc1c[cH-]c(CC)c1.CCc1c[cH-]c(CC)c1.C[Si](C)=[Zr](Cl)Cl
InChIInChI=1S/2C9H13.C2H6Si.2ClH.Zr/c2*1-3-8-5-6-9(4-2)7-8;1-3-2;;;/h2*5-7H,3-4H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyJGEZCPWPFAQADI-UHFFFAOYSA-L
MW462.69 g/mol
LogP7.22
Rot. Bonds4

About dichloro(dimethylsilylidene)zirconium;bis(1,3-diethylcyclopenta-1,3-diene)

dichloro(dimethylsilylidene)zirconium;bis(1,3-diethylcyclopenta-1,3-diene) (PubChem CID 154481187) has the molecular formula C20H32Cl2SiZr-2 and a molecular weight of 462.69 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;bis(1,3-diethylcyclopenta-1,3-diene).

Molecular Properties

Compound Namedichloro(dimethylsilylidene)zirconium;bis(1,3-diethylcyclopenta-1,3-diene)
PubChem CID154481187
Molecular FormulaC20H32Cl2SiZr-2
Molecular Weight462.69 g/mol
Exact Mass460.07
IUPAC Namedichloro(dimethylsilylidene)zirconium;bis(1,3-diethylcyclopenta-1,3-diene)
SMILESCCc1c[cH-]c(CC)c1.CCc1c[cH-]c(CC)c1.C[Si](C)=[Zr](Cl)Cl
InChIInChI=1S/2C9H13.C2H6Si.2ClH.Zr/c2*1-3-8-5-6-9(4-2)7-8;1-3-2;;;/h2*5-7H,3-4H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyJGEZCPWPFAQADI-UHFFFAOYSA-L
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.69
LogP ≤ 57.22
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 dichloro(dimethylsilylidene)zirconium;bis(1,3-diethylcyclopenta-1,3-diene)?
The IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(1,3-diethylcyclopenta-1,3-diene) (CID 154481187) is dichloro(dimethylsilylidene)zirconium;bis(1,3-diethylcyclopenta-1,3-diene).
What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;bis(1,3-diethylcyclopenta-1,3-diene)?
The canonical SMILES for dichloro(dimethylsilylidene)zirconium;bis(1,3-diethylcyclopenta-1,3-diene) is CCc1c[cH-]c(CC)c1.CCc1c[cH-]c(CC)c1.C[Si](C)=[Zr](Cl)Cl.
What is the InChIKey of dichloro(dimethylsilylidene)zirconium;bis(1,3-diethylcyclopenta-1,3-diene)?
The InChIKey is JGEZCPWPFAQADI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H13.C2H6Si.2ClH.Zr/c2*1-3-8-5-6-9(4-2)7-8;1-3-2;;;/h2*5-7H,3-4H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)zirconium;bis(1,3-diethylcyclopenta-1,3-diene)?
dichloro(dimethylsilylidene)zirconium;bis(1,3-diethylcyclopenta-1,3-diene) has a molecular weight of 462.69 g/mol, XLogP of 7.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)zirconium;bis(1,3-diethylcyclopenta-1,3-diene) is sourced from PubChem (CID 154481187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).