cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-dimethylsilane;zirconium(4+);dichloride

C14H20Cl2Si2Zr — CID 22311256

IUPACcyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-dimethylsilane;zirconium(4+);dichloride
SMILESC[Si](C)(C1=[C-]CC=C1)[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C14H20Si2.2ClH.Zr/c1-15(2,13-9-5-6-10-13)16(3,4)14-11-7-8-12-14;;;/h5,7,9,11H,6,8H2,1-4H3;2*1H;/q-2;;;+4/p-2
InChIKeyGOBRBOKNGCYKOV-UHFFFAOYSA-L
MW406.62 g/mol
LogP-2.06
Rot. Bonds3

About cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-dimethylsilane;zirconium(4+);dichloride

cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-dimethylsilane;zirconium(4+);dichloride (PubChem CID 22311256) has the molecular formula C14H20Cl2Si2Zr and a molecular weight of 406.62 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-dimethylsilane;zirconium(4+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-dimethylsilane;zirconium(4+);dichloride
PubChem CID22311256
Molecular FormulaC14H20Cl2Si2Zr
Molecular Weight406.62 g/mol
Exact Mass403.95
IUPAC Namecyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-dimethylsilane;zirconium(4+);dichloride
SMILESC[Si](C)(C1=[C-]CC=C1)[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C14H20Si2.2ClH.Zr/c1-15(2,13-9-5-6-10-13)16(3,4)14-11-7-8-12-14;;;/h5,7,9,11H,6,8H2,1-4H3;2*1H;/q-2;;;+4/p-2
InChIKeyGOBRBOKNGCYKOV-UHFFFAOYSA-L
XLogP-2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.62
LogP ≤ 5-2.06
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 cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-dimethylsilane;zirconium(4+);dichloride?
The IUPAC name of cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-dimethylsilane;zirconium(4+);dichloride (CID 22311256) is cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-dimethylsilane;zirconium(4+);dichloride.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-dimethylsilane;zirconium(4+);dichloride?
The canonical SMILES for cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-dimethylsilane;zirconium(4+);dichloride is C[Si](C)(C1=[C-]CC=C1)[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-dimethylsilane;zirconium(4+);dichloride?
The InChIKey is GOBRBOKNGCYKOV-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H20Si2.2ClH.Zr/c1-15(2,13-9-5-6-10-13)16(3,4)14-11-7-8-12-14;;;/h5,7,9,11H,6,8H2,1-4H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-dimethylsilane;zirconium(4+);dichloride?
cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-dimethylsilane;zirconium(4+);dichloride has a molecular weight of 406.62 g/mol, XLogP of -2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-dimethylsilane;zirconium(4+);dichloride is sourced from PubChem (CID 22311256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).