bis(1,3-dimethylcyclopenta-1,3-diene);silolane;zirconium(4+);dichloride

C18H28Cl2SiZr — CID 173283757

IUPACbis(1,3-dimethylcyclopenta-1,3-diene);silolane;zirconium(4+);dichloride
SMILESC1CC[SiH2]C1.CC1=[C-]CC(C)=C1.CC1=[C-]CC(C)=C1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C7H9.C4H10Si.2ClH.Zr/c2*1-6-3-4-7(2)5-6;1-2-4-5-3-1;;;/h2*5H,3H2,1-2H3;1-5H2;2*1H;/q2*-1;;;;+4/p-2
InChIKeyIEFAUJWLHBWTJW-UHFFFAOYSA-L
MW434.64 g/mol
LogP-1.04
Rot. Bonds

About bis(1,3-dimethylcyclopenta-1,3-diene);silolane;zirconium(4+);dichloride

bis(1,3-dimethylcyclopenta-1,3-diene);silolane;zirconium(4+);dichloride (PubChem CID 173283757) has the molecular formula C18H28Cl2SiZr and a molecular weight of 434.64 g/mol. Its IUPAC name is bis(1,3-dimethylcyclopenta-1,3-diene);silolane;zirconium(4+);dichloride.

Molecular Properties

Compound Namebis(1,3-dimethylcyclopenta-1,3-diene);silolane;zirconium(4+);dichloride
PubChem CID173283757
Molecular FormulaC18H28Cl2SiZr
Molecular Weight434.64 g/mol
Exact Mass432.04
IUPAC Namebis(1,3-dimethylcyclopenta-1,3-diene);silolane;zirconium(4+);dichloride
SMILESC1CC[SiH2]C1.CC1=[C-]CC(C)=C1.CC1=[C-]CC(C)=C1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C7H9.C4H10Si.2ClH.Zr/c2*1-6-3-4-7(2)5-6;1-2-4-5-3-1;;;/h2*5H,3H2,1-2H3;1-5H2;2*1H;/q2*-1;;;;+4/p-2
InChIKeyIEFAUJWLHBWTJW-UHFFFAOYSA-L
XLogP-1.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.64
LogP ≤ 5-1.04
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 bis(1,3-dimethylcyclopenta-1,3-diene);silolane;zirconium(4+);dichloride?
The IUPAC name of bis(1,3-dimethylcyclopenta-1,3-diene);silolane;zirconium(4+);dichloride (CID 173283757) is bis(1,3-dimethylcyclopenta-1,3-diene);silolane;zirconium(4+);dichloride.
What is the SMILES notation for bis(1,3-dimethylcyclopenta-1,3-diene);silolane;zirconium(4+);dichloride?
The canonical SMILES for bis(1,3-dimethylcyclopenta-1,3-diene);silolane;zirconium(4+);dichloride is C1CC[SiH2]C1.CC1=[C-]CC(C)=C1.CC1=[C-]CC(C)=C1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of bis(1,3-dimethylcyclopenta-1,3-diene);silolane;zirconium(4+);dichloride?
The InChIKey is IEFAUJWLHBWTJW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H9.C4H10Si.2ClH.Zr/c2*1-6-3-4-7(2)5-6;1-2-4-5-3-1;;;/h2*5H,3H2,1-2H3;1-5H2;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of bis(1,3-dimethylcyclopenta-1,3-diene);silolane;zirconium(4+);dichloride?
bis(1,3-dimethylcyclopenta-1,3-diene);silolane;zirconium(4+);dichloride has a molecular weight of 434.64 g/mol, XLogP of -1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-dimethylcyclopenta-1,3-diene);silolane;zirconium(4+);dichloride is sourced from PubChem (CID 173283757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).