cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;zirconium(4+);dichloride

C22H36Cl2OSi2Zr — CID 87448319

IUPACcyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;zirconium(4+);dichloride
SMILESCC(C)[Si](O[Si](C1=[C-]CC=C1)(C(C)C)C(C)C)(C1=[C-]CC=C1)C(C)C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C22H36OSi2.2ClH.Zr/c1-17(2)24(18(3)4,21-13-9-10-14-21)23-25(19(5)6,20(7)8)22-15-11-12-16-22;;;/h9,11,13,15,17-20H,10,12H2,1-8H3;2*1H;/q-2;;;+4/p-2
InChIKeyFIZQATLOXXHSHG-UHFFFAOYSA-L
MW534.83 g/mol
LogP1.00
Rot. Bonds8

About cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;zirconium(4+);dichloride

cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;zirconium(4+);dichloride (PubChem CID 87448319) has the molecular formula C22H36Cl2OSi2Zr and a molecular weight of 534.83 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;zirconium(4+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;zirconium(4+);dichloride
PubChem CID87448319
Molecular FormulaC22H36Cl2OSi2Zr
Molecular Weight534.83 g/mol
Exact Mass532.07
IUPAC Namecyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;zirconium(4+);dichloride
SMILESCC(C)[Si](O[Si](C1=[C-]CC=C1)(C(C)C)C(C)C)(C1=[C-]CC=C1)C(C)C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C22H36OSi2.2ClH.Zr/c1-17(2)24(18(3)4,21-13-9-10-14-21)23-25(19(5)6,20(7)8)22-15-11-12-16-22;;;/h9,11,13,15,17-20H,10,12H2,1-8H3;2*1H;/q-2;;;+4/p-2
InChIKeyFIZQATLOXXHSHG-UHFFFAOYSA-L
XLogP1.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.83
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;zirconium(4+);dichloride?
The IUPAC name of cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;zirconium(4+);dichloride (CID 87448319) is cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;zirconium(4+);dichloride.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;zirconium(4+);dichloride?
The canonical SMILES for cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;zirconium(4+);dichloride is CC(C)[Si](O[Si](C1=[C-]CC=C1)(C(C)C)C(C)C)(C1=[C-]CC=C1)C(C)C.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;zirconium(4+);dichloride?
The InChIKey is FIZQATLOXXHSHG-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H36OSi2.2ClH.Zr/c1-17(2)24(18(3)4,21-13-9-10-14-21)23-25(19(5)6,20(7)8)22-15-11-12-16-22;;;/h9,11,13,15,17-20H,10,12H2,1-8H3;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-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;zirconium(4+);dichloride?
cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;zirconium(4+);dichloride has a molecular weight of 534.83 g/mol, XLogP of 1.00, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;zirconium(4+);dichloride is sourced from PubChem (CID 87448319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).