benzene;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride

C23H26Cl2SiZr-4 — CID 173008627

IUPACbenzene;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
SMILESCC1=[C-]CC=C1.Cl.Cl.[C-]1=CC=CC1.[SiH2]=[Zr].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/C6H7.2C6H5.C5H5.2ClH.H2Si.Zr/c1-6-4-2-3-5-6;2*1-2-4-6-5-3-1;1-2-4-5-3-1;;;;/h2,4H,3H2,1H3;2*1-5H;1-3H,4H2;2*1H;1H2;/q4*-1;;;;
InChIKeyWFSYBQZTLIVARI-UHFFFAOYSA-N
MW492.68 g/mol
LogP5.90
Rot. Bonds

About benzene;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride

benzene;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride (PubChem CID 173008627) has the molecular formula C23H26Cl2SiZr-4 and a molecular weight of 492.68 g/mol. Its IUPAC name is benzene;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride.

Molecular Properties

Compound Namebenzene;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
PubChem CID173008627
Molecular FormulaC23H26Cl2SiZr-4
Molecular Weight492.68 g/mol
Exact Mass490.02
IUPAC Namebenzene;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
SMILESCC1=[C-]CC=C1.Cl.Cl.[C-]1=CC=CC1.[SiH2]=[Zr].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/C6H7.2C6H5.C5H5.2ClH.H2Si.Zr/c1-6-4-2-3-5-6;2*1-2-4-6-5-3-1;1-2-4-5-3-1;;;;/h2,4H,3H2,1H3;2*1-5H;1-3H,4H2;2*1H;1H2;/q4*-1;;;;
InChIKeyWFSYBQZTLIVARI-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.68
LogP ≤ 55.90
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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Related Compounds

cyclopenta-1,3-diene;ethane;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
CID 173008550
bis(cyclohexane);cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
CID 173008631
cyclopenta-1,3-diene;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+)
CID 173138312
benzene;cyclopenta-1,3-diene;zirconium(2+)
CID 174248756
benzene;cyclopenta-1,3-diene;titanium(3+)
CID 173200897
benzene;cyclopenta-1,3-diene;hydroxysilane;zirconium(4+)
CID 174258600
benzene;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;methylidenezirconium
CID 22673370
carbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride
CID 173008932
bis(2-tert-butylcyclopenta-1,3-diene);carbanide;tetrakis(cyclopenta-1,3-diene);silylidenezirconium;bis(zirconium(2+));hexahydrochloride
CID 173060860
benzene;benzylphosphane;cyclopenta-1,3-diene;silylidenetitanium;dihydrochloride
CID 173385317
bis(2-methylcyclopenta-1,3-diene);zirconium;trihydrobromide;trihydrochloride
CID 175124905
hafnium;2-methylcyclopenta-1,3-diene
CID 173074070

Frequently Asked Questions

What is the IUPAC name of benzene;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride?
The IUPAC name of benzene;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride (CID 173008627) is benzene;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride.
What is the SMILES notation for benzene;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride?
The canonical SMILES for benzene;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride is CC1=[C-]CC=C1.Cl.Cl.[C-]1=CC=CC1.[SiH2]=[Zr].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride?
The InChIKey is WFSYBQZTLIVARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.2C6H5.C5H5.2ClH.H2Si.Zr/c1-6-4-2-3-5-6;2*1-2-4-6-5-3-1;1-2-4-5-3-1;;;;/h2,4H,3H2,1H3;2*1-5H;1-3H,4H2;2*1H;1H2;/q4*-1;;;;.
What are the key properties of benzene;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride?
benzene;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride has a molecular weight of 492.68 g/mol, XLogP of 5.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride is sourced from PubChem (CID 173008627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).