bis(cyclopenta-2,4-dien-1-yloxy-dimethyl-propan-2-ylsilane);zirconium(2+);dichloride

C20H34Cl2O2Si2Zr-2 — CID 23115142

IUPACbis(cyclopenta-2,4-dien-1-yloxy-dimethyl-propan-2-ylsilane);zirconium(2+);dichloride
SMILESCC(C)[Si](C)(C)O[c-]1cccc1.CC(C)[Si](C)(C)O[c-]1cccc1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/2C10H17OSi.2ClH.Zr/c2*1-9(2)12(3,4)11-10-7-5-6-8-10;;;/h2*5-9H,1-4H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyWVBRFTVJHVRTPQ-UHFFFAOYSA-L
MW524.79 g/mol
LogP0.80
Rot. Bonds6

About bis(cyclopenta-2,4-dien-1-yloxy-dimethyl-propan-2-ylsilane);zirconium(2+);dichloride

bis(cyclopenta-2,4-dien-1-yloxy-dimethyl-propan-2-ylsilane);zirconium(2+);dichloride (PubChem CID 23115142) has the molecular formula C20H34Cl2O2Si2Zr-2 and a molecular weight of 524.79 g/mol. Its IUPAC name is bis(cyclopenta-2,4-dien-1-yloxy-dimethyl-propan-2-ylsilane);zirconium(2+);dichloride.

Molecular Properties

Compound Namebis(cyclopenta-2,4-dien-1-yloxy-dimethyl-propan-2-ylsilane);zirconium(2+);dichloride
PubChem CID23115142
Molecular FormulaC20H34Cl2O2Si2Zr-2
Molecular Weight524.79 g/mol
Exact Mass522.05
IUPAC Namebis(cyclopenta-2,4-dien-1-yloxy-dimethyl-propan-2-ylsilane);zirconium(2+);dichloride
SMILESCC(C)[Si](C)(C)O[c-]1cccc1.CC(C)[Si](C)(C)O[c-]1cccc1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/2C10H17OSi.2ClH.Zr/c2*1-9(2)12(3,4)11-10-7-5-6-8-10;;;/h2*5-9H,1-4H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyWVBRFTVJHVRTPQ-UHFFFAOYSA-L
XLogP0.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.79
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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(cyclopenta-2,4-dien-1-yloxy-dimethyl-propan-2-ylsilane);zirconium(2+);dichloride?
The IUPAC name of bis(cyclopenta-2,4-dien-1-yloxy-dimethyl-propan-2-ylsilane);zirconium(2+);dichloride (CID 23115142) is bis(cyclopenta-2,4-dien-1-yloxy-dimethyl-propan-2-ylsilane);zirconium(2+);dichloride.
What is the SMILES notation for bis(cyclopenta-2,4-dien-1-yloxy-dimethyl-propan-2-ylsilane);zirconium(2+);dichloride?
The canonical SMILES for bis(cyclopenta-2,4-dien-1-yloxy-dimethyl-propan-2-ylsilane);zirconium(2+);dichloride is CC(C)[Si](C)(C)O[c-]1cccc1.CC(C)[Si](C)(C)O[c-]1cccc1.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of bis(cyclopenta-2,4-dien-1-yloxy-dimethyl-propan-2-ylsilane);zirconium(2+);dichloride?
The InChIKey is WVBRFTVJHVRTPQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H17OSi.2ClH.Zr/c2*1-9(2)12(3,4)11-10-7-5-6-8-10;;;/h2*5-9H,1-4H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of bis(cyclopenta-2,4-dien-1-yloxy-dimethyl-propan-2-ylsilane);zirconium(2+);dichloride?
bis(cyclopenta-2,4-dien-1-yloxy-dimethyl-propan-2-ylsilane);zirconium(2+);dichloride has a molecular weight of 524.79 g/mol, XLogP of 0.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-2,4-dien-1-yloxy-dimethyl-propan-2-ylsilane);zirconium(2+);dichloride is sourced from PubChem (CID 23115142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).