dimethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;zirconium(4+);dichloride

C20H30Cl2SiZr — CID 22467763

IUPACdimethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;zirconium(4+);dichloride
SMILESCC1=[C-]C(C)([Si](C)(C)C2(C)[C-]=C(C)C(C)=C2C)C(C)=C1C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C20H30Si.2ClH.Zr/c1-13-11-19(7,17(5)15(13)3)21(9,10)20(8)12-14(2)16(4)18(20)6;;;/h1-10H3;2*1H;/q-2;;;+4/p-2
InChIKeyYPKTYRSYQPMXTA-UHFFFAOYSA-L
MW460.68 g/mol
LogP0.42
Rot. Bonds2

About dimethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;zirconium(4+);dichloride

dimethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;zirconium(4+);dichloride (PubChem CID 22467763) has the molecular formula C20H30Cl2SiZr and a molecular weight of 460.68 g/mol. Its IUPAC name is dimethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;zirconium(4+);dichloride.

Molecular Properties

Compound Namedimethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;zirconium(4+);dichloride
PubChem CID22467763
Molecular FormulaC20H30Cl2SiZr
Molecular Weight460.68 g/mol
Exact Mass458.05
IUPAC Namedimethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;zirconium(4+);dichloride
SMILESCC1=[C-]C(C)([Si](C)(C)C2(C)[C-]=C(C)C(C)=C2C)C(C)=C1C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C20H30Si.2ClH.Zr/c1-13-11-19(7,17(5)15(13)3)21(9,10)20(8)12-14(2)16(4)18(20)6;;;/h1-10H3;2*1H;/q-2;;;+4/p-2
InChIKeyYPKTYRSYQPMXTA-UHFFFAOYSA-L
XLogP0.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.68
LogP ≤ 50.42
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 dimethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;zirconium(4+);dichloride?
The IUPAC name of dimethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;zirconium(4+);dichloride (CID 22467763) is dimethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;zirconium(4+);dichloride.
What is the SMILES notation for dimethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;zirconium(4+);dichloride?
The canonical SMILES for dimethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;zirconium(4+);dichloride is CC1=[C-]C(C)([Si](C)(C)C2(C)[C-]=C(C)C(C)=C2C)C(C)=C1C.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of dimethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;zirconium(4+);dichloride?
The InChIKey is YPKTYRSYQPMXTA-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H30Si.2ClH.Zr/c1-13-11-19(7,17(5)15(13)3)21(9,10)20(8)12-14(2)16(4)18(20)6;;;/h1-10H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of dimethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;zirconium(4+);dichloride?
dimethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;zirconium(4+);dichloride has a molecular weight of 460.68 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;zirconium(4+);dichloride is sourced from PubChem (CID 22467763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).