bis(tert-butyl-(1,2-dihydroinden-2-id-1-yloxy)-dimethylsilane);zirconium(4+);dichloride

C30H42Cl2O2Si2Zr — CID 18314678

IUPACbis(tert-butyl-(1,2-dihydroinden-2-id-1-yloxy)-dimethylsilane);zirconium(4+);dichloride
SMILESCC(C)(C)[Si](C)(C)OC1[C-]=Cc2ccccc21.CC(C)(C)[Si](C)(C)OC1[C-]=Cc2ccccc21.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C15H21OSi.2ClH.Zr/c2*1-15(2,3)17(4,5)16-14-11-10-12-8-6-7-9-13(12)14;;;/h2*6-10,14H,1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyGOYWJHAAZGPBHU-UHFFFAOYSA-L
MW652.97 g/mol
LogP3.16
Rot. Bonds4

About bis(tert-butyl-(1,2-dihydroinden-2-id-1-yloxy)-dimethylsilane);zirconium(4+);dichloride

bis(tert-butyl-(1,2-dihydroinden-2-id-1-yloxy)-dimethylsilane);zirconium(4+);dichloride (PubChem CID 18314678) has the molecular formula C30H42Cl2O2Si2Zr and a molecular weight of 652.97 g/mol. Its IUPAC name is bis(tert-butyl-(1,2-dihydroinden-2-id-1-yloxy)-dimethylsilane);zirconium(4+);dichloride.

Molecular Properties

Compound Namebis(tert-butyl-(1,2-dihydroinden-2-id-1-yloxy)-dimethylsilane);zirconium(4+);dichloride
PubChem CID18314678
Molecular FormulaC30H42Cl2O2Si2Zr
Molecular Weight652.97 g/mol
Exact Mass650.11
IUPAC Namebis(tert-butyl-(1,2-dihydroinden-2-id-1-yloxy)-dimethylsilane);zirconium(4+);dichloride
SMILESCC(C)(C)[Si](C)(C)OC1[C-]=Cc2ccccc21.CC(C)(C)[Si](C)(C)OC1[C-]=Cc2ccccc21.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C15H21OSi.2ClH.Zr/c2*1-15(2,3)17(4,5)16-14-11-10-12-8-6-7-9-13(12)14;;;/h2*6-10,14H,1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyGOYWJHAAZGPBHU-UHFFFAOYSA-L
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500652.97
LogP ≤ 53.16
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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Related Compounds

CID 11100658
CID 11100658
CID 597386
CID 597386
CID 11054287
CID 11054287
CID 11266223
CID 11266223
CID 11370512
CID 11370512
CID 12124314
CID 12124314
CID 154721395
CID 154721395
CID 10491616
CID 10491616
CID 11209662
CID 11209662
CID 11403798
CID 11403798
CID 11483397
CID 11483397
CID 12130401
CID 12130401

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl-(1,2-dihydroinden-2-id-1-yloxy)-dimethylsilane);zirconium(4+);dichloride?
The IUPAC name of bis(tert-butyl-(1,2-dihydroinden-2-id-1-yloxy)-dimethylsilane);zirconium(4+);dichloride (CID 18314678) is bis(tert-butyl-(1,2-dihydroinden-2-id-1-yloxy)-dimethylsilane);zirconium(4+);dichloride.
What is the SMILES notation for bis(tert-butyl-(1,2-dihydroinden-2-id-1-yloxy)-dimethylsilane);zirconium(4+);dichloride?
The canonical SMILES for bis(tert-butyl-(1,2-dihydroinden-2-id-1-yloxy)-dimethylsilane);zirconium(4+);dichloride is CC(C)(C)[Si](C)(C)OC1[C-]=Cc2ccccc21.CC(C)(C)[Si](C)(C)OC1[C-]=Cc2ccccc21.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of bis(tert-butyl-(1,2-dihydroinden-2-id-1-yloxy)-dimethylsilane);zirconium(4+);dichloride?
The InChIKey is GOYWJHAAZGPBHU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H21OSi.2ClH.Zr/c2*1-15(2,3)17(4,5)16-14-11-10-12-8-6-7-9-13(12)14;;;/h2*6-10,14H,1-5H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(tert-butyl-(1,2-dihydroinden-2-id-1-yloxy)-dimethylsilane);zirconium(4+);dichloride?
bis(tert-butyl-(1,2-dihydroinden-2-id-1-yloxy)-dimethylsilane);zirconium(4+);dichloride has a molecular weight of 652.97 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl-(1,2-dihydroinden-2-id-1-yloxy)-dimethylsilane);zirconium(4+);dichloride is sourced from PubChem (CID 18314678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).