bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium(4+);dichloride

C16H22Cl2SiZr — CID 18005995

IUPACbis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium(4+);dichloride
SMILESCC1=[C-]CC(C)=C1[Si](C)(C)C1=C(C)C[C-]=C1C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C16H22Si.2ClH.Zr/c1-11-7-8-12(2)15(11)17(5,6)16-13(3)9-10-14(16)4;;;/h7,9H2,1-6H3;2*1H;/q-2;;;+4/p-2
InChIKeyXGHILIWAAUMZQX-UHFFFAOYSA-L
MW404.57 g/mol
LogP-1.28
Rot. Bonds2

About bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium(4+);dichloride

bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium(4+);dichloride (PubChem CID 18005995) has the molecular formula C16H22Cl2SiZr and a molecular weight of 404.57 g/mol. Its IUPAC name is bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium(4+);dichloride.

Molecular Properties

Compound Namebis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium(4+);dichloride
PubChem CID18005995
Molecular FormulaC16H22Cl2SiZr
Molecular Weight404.57 g/mol
Exact Mass401.99
IUPAC Namebis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium(4+);dichloride
SMILESCC1=[C-]CC(C)=C1[Si](C)(C)C1=C(C)C[C-]=C1C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C16H22Si.2ClH.Zr/c1-11-7-8-12(2)15(11)17(5,6)16-13(3)9-10-14(16)4;;;/h7,9H2,1-6H3;2*1H;/q-2;;;+4/p-2
InChIKeyXGHILIWAAUMZQX-UHFFFAOYSA-L
XLogP-1.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.57
LogP ≤ 5-1.28
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(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium(4+);dichloride?
The IUPAC name of bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium(4+);dichloride (CID 18005995) is bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium(4+);dichloride.
What is the SMILES notation for bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium(4+);dichloride?
The canonical SMILES for bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium(4+);dichloride is CC1=[C-]CC(C)=C1[Si](C)(C)C1=C(C)C[C-]=C1C.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium(4+);dichloride?
The InChIKey is XGHILIWAAUMZQX-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H22Si.2ClH.Zr/c1-11-7-8-12(2)15(11)17(5,6)16-13(3)9-10-14(16)4;;;/h7,9H2,1-6H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium(4+);dichloride?
bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium(4+);dichloride has a molecular weight of 404.57 g/mol, XLogP of -1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;zirconium(4+);dichloride is sourced from PubChem (CID 18005995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).