bis(tert-butyl-inden-1-id-1-yloxy-dimethylsilane);zirconium(2+)

C30H42O2Si2Zr — CID 87992761

IUPACbis(tert-butyl-inden-1-id-1-yloxy-dimethylsilane);zirconium(2+)
SMILESCC(C)(C)[Si](C)(C)O[c-]1ccc2ccccc21.CC(C)(C)[Si](C)(C)O[c-]1ccc2ccccc21.[Zr+2]
InChIInChI=1S/2C15H21OSi.Zr/c2*1-15(2,3)17(4,5)16-14-11-10-12-8-6-7-9-13(12)14;/h2*6-11H,1-5H3;/q2*-1;+2
InChIKeyWHAXITXEKLLZCO-UHFFFAOYSA-N
MW582.06 g/mol
LogP9.88
Rot. Bonds4

About bis(tert-butyl-inden-1-id-1-yloxy-dimethylsilane);zirconium(2+)

bis(tert-butyl-inden-1-id-1-yloxy-dimethylsilane);zirconium(2+) (PubChem CID 87992761) has the molecular formula C30H42O2Si2Zr and a molecular weight of 582.06 g/mol. Its IUPAC name is bis(tert-butyl-inden-1-id-1-yloxy-dimethylsilane);zirconium(2+).

Molecular Properties

Compound Namebis(tert-butyl-inden-1-id-1-yloxy-dimethylsilane);zirconium(2+)
PubChem CID87992761
Molecular FormulaC30H42O2Si2Zr
Molecular Weight582.06 g/mol
Exact Mass580.18
IUPAC Namebis(tert-butyl-inden-1-id-1-yloxy-dimethylsilane);zirconium(2+)
SMILESCC(C)(C)[Si](C)(C)O[c-]1ccc2ccccc21.CC(C)(C)[Si](C)(C)O[c-]1ccc2ccccc21.[Zr+2]
InChIInChI=1S/2C15H21OSi.Zr/c2*1-15(2,3)17(4,5)16-14-11-10-12-8-6-7-9-13(12)14;/h2*6-11H,1-5H3;/q2*-1;+2
InChIKeyWHAXITXEKLLZCO-UHFFFAOYSA-N
XLogP9.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.06
LogP ≤ 59.88
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(tert-butyl-inden-1-id-1-yloxy-dimethylsilane);zirconium(2+)?
The IUPAC name of bis(tert-butyl-inden-1-id-1-yloxy-dimethylsilane);zirconium(2+) (CID 87992761) is bis(tert-butyl-inden-1-id-1-yloxy-dimethylsilane);zirconium(2+).
What is the SMILES notation for bis(tert-butyl-inden-1-id-1-yloxy-dimethylsilane);zirconium(2+)?
The canonical SMILES for bis(tert-butyl-inden-1-id-1-yloxy-dimethylsilane);zirconium(2+) is CC(C)(C)[Si](C)(C)O[c-]1ccc2ccccc21.CC(C)(C)[Si](C)(C)O[c-]1ccc2ccccc21.[Zr+2].
What is the InChIKey of bis(tert-butyl-inden-1-id-1-yloxy-dimethylsilane);zirconium(2+)?
The InChIKey is WHAXITXEKLLZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H21OSi.Zr/c2*1-15(2,3)17(4,5)16-14-11-10-12-8-6-7-9-13(12)14;/h2*6-11H,1-5H3;/q2*-1;+2.
What are the key properties of bis(tert-butyl-inden-1-id-1-yloxy-dimethylsilane);zirconium(2+)?
bis(tert-butyl-inden-1-id-1-yloxy-dimethylsilane);zirconium(2+) has a molecular weight of 582.06 g/mol, XLogP of 9.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl-inden-1-id-1-yloxy-dimethylsilane);zirconium(2+) is sourced from PubChem (CID 87992761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).