bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride

C19H32Cl2Si2Zr-2 — CID 22467725

IUPACbis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride
SMILESCC(C)=[Zr+2].C[Si](C)(C)C1=CC[C-]=C1.C[Si](C)(C)C1=CC[C-]=C1.[Cl-].[Cl-]
InChIInChI=1S/2C8H13Si.C3H6.2ClH.Zr/c2*1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2*6-7H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyPBUVBVOIDLDXPP-UHFFFAOYSA-L
MW478.77 g/mol
LogP-0.14
Rot. Bonds2

About bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride

bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride (PubChem CID 22467725) has the molecular formula C19H32Cl2Si2Zr-2 and a molecular weight of 478.77 g/mol. Its IUPAC name is bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride.

Molecular Properties

Compound Namebis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride
PubChem CID22467725
Molecular FormulaC19H32Cl2Si2Zr-2
Molecular Weight478.77 g/mol
Exact Mass476.05
IUPAC Namebis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride
SMILESCC(C)=[Zr+2].C[Si](C)(C)C1=CC[C-]=C1.C[Si](C)(C)C1=CC[C-]=C1.[Cl-].[Cl-]
InChIInChI=1S/2C8H13Si.C3H6.2ClH.Zr/c2*1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2*6-7H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyPBUVBVOIDLDXPP-UHFFFAOYSA-L
XLogP-0.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.77
LogP ≤ 5-0.14
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 bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride 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 bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride?
The IUPAC name of bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride (CID 22467725) is bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride.
What is the SMILES notation for bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride?
The canonical SMILES for bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride is CC(C)=[Zr+2].C[Si](C)(C)C1=CC[C-]=C1.C[Si](C)(C)C1=CC[C-]=C1.[Cl-].[Cl-].
What is the InChIKey of bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride?
The InChIKey is PBUVBVOIDLDXPP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H13Si.C3H6.2ClH.Zr/c2*1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2*6-7H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride?
bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride has a molecular weight of 478.77 g/mol, XLogP of -0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);propan-2-ylidenezirconium(2+);dichloride is sourced from PubChem (CID 22467725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).