cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+)

C14H22O2SiZr-2 — CID 158954665

IUPACcyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+)
SMILESC[O-].C[O-].Cc1ccc[c-]1C.[SiH2]=[Zr+2].c1cc[cH-]c1
InChIInChI=1S/C7H9.C5H5.2CH3O.H2Si.Zr/c1-6-4-3-5-7(6)2;1-2-4-5-3-1;2*1-2;;/h3-5H,1-2H3;1-5H;2*1H3;1H2;/q4*-1;;+2
InChIKeyYMHLLQPSKJVHMA-UHFFFAOYSA-N
MW341.64 g/mol
LogP0.46
Rot. Bonds

About cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+)

cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+) (PubChem CID 158954665) has the molecular formula C14H22O2SiZr-2 and a molecular weight of 341.64 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+)
PubChem CID158954665
Molecular FormulaC14H22O2SiZr-2
Molecular Weight341.64 g/mol
Exact Mass340.04
IUPAC Namecyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+)
SMILESC[O-].C[O-].Cc1ccc[c-]1C.[SiH2]=[Zr+2].c1cc[cH-]c1
InChIInChI=1S/C7H9.C5H5.2CH3O.H2Si.Zr/c1-6-4-3-5-7(6)2;1-2-4-5-3-1;2*1-2;;/h3-5H,1-2H3;1-5H;2*1H3;1H2;/q4*-1;;+2
InChIKeyYMHLLQPSKJVHMA-UHFFFAOYSA-N
XLogP0.46
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+) with MolForge

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Related Compounds

cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide
CID 157432095
bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide
CID 159332319
1,5-dimethylcyclopenta-1,3-diene;1,2-dimethylcyclopentane;iron
CID 173240550
cyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene
CID 174912786
bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dibromide
CID 158254921
cyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);1,2,5-trimethylcyclopenta-1,3-diene;dichloride
CID 159998062
bis(2-bromophenol);bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(2+)
CID 87844718
cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,4-dien-1-amine;iron(2+)
CID 172687333
chromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene
CID 624342
CID 160550047
CID 160550047
CID 158895682
CID 158895682
1,5-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphole;zirconium(4+);dichloride
CID 158864044

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+)?
The IUPAC name of cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+) (CID 158954665) is cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+).
What is the SMILES notation for cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+)?
The canonical SMILES for cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+) is C[O-].C[O-].Cc1ccc[c-]1C.[SiH2]=[Zr+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+)?
The InChIKey is YMHLLQPSKJVHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9.C5H5.2CH3O.H2Si.Zr/c1-6-4-3-5-7(6)2;1-2-4-5-3-1;2*1-2;;/h3-5H,1-2H3;1-5H;2*1H3;1H2;/q4*-1;;+2.
What are the key properties of cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+)?
cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+) has a molecular weight of 341.64 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+) is sourced from PubChem (CID 158954665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).