tert-butyl-[[1-[2-[2-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-2-yl]oxy]-dimethylsilane;dichlorozirconium

C32H45Cl2O2Si2Zr- — CID 87517651

IUPACtert-butyl-[[1-[2-[2-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-2-yl]oxy]-dimethylsilane;dichlorozirconium
SMILESCC(C)(C)[Si](C)(C)OC1=Cc2ccccc2C1[CH-]CC1C(O[Si](C)(C)C(C)(C)C)=Cc2ccccc21.Cl[Zr]Cl
InChIInChI=1S/C32H45O2Si2.2ClH.Zr/c1-31(2,3)35(7,8)33-29-21-23-15-11-13-17-25(23)27(29)19-20-28-26-18-14-12-16-24(26)22-30(28)34-36(9,10)32(4,5)6;;;/h11-19,21-22,27-28H,20H2,1-10H3;2*1H;/q-1;;;+2/p-2
InChIKeyVPTGMJXVBOJQCO-UHFFFAOYSA-L
MW680.01 g/mol
LogP11.28
Rot. Bonds7

About tert-butyl-[[1-[2-[2-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-2-yl]oxy]-dimethylsilane;dichlorozirconium

tert-butyl-[[1-[2-[2-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-2-yl]oxy]-dimethylsilane;dichlorozirconium (PubChem CID 87517651) has the molecular formula C32H45Cl2O2Si2Zr- and a molecular weight of 680.01 g/mol. Its IUPAC name is tert-butyl-[[1-[2-[2-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-2-yl]oxy]-dimethylsilane;dichlorozirconium.

Molecular Properties

Compound Nametert-butyl-[[1-[2-[2-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-2-yl]oxy]-dimethylsilane;dichlorozirconium
PubChem CID87517651
Molecular FormulaC32H45Cl2O2Si2Zr-
Molecular Weight680.01 g/mol
Exact Mass677.14
IUPAC Nametert-butyl-[[1-[2-[2-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-2-yl]oxy]-dimethylsilane;dichlorozirconium
SMILESCC(C)(C)[Si](C)(C)OC1=Cc2ccccc2C1[CH-]CC1C(O[Si](C)(C)C(C)(C)C)=Cc2ccccc21.Cl[Zr]Cl
InChIInChI=1S/C32H45O2Si2.2ClH.Zr/c1-31(2,3)35(7,8)33-29-21-23-15-11-13-17-25(23)27(29)19-20-28-26-18-14-12-16-24(26)22-30(28)34-36(9,10)32(4,5)6;;;/h11-19,21-22,27-28H,20H2,1-10H3;2*1H;/q-1;;;+2/p-2
InChIKeyVPTGMJXVBOJQCO-UHFFFAOYSA-L
XLogP11.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.01
LogP ≤ 511.28
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 tert-butyl-[[1-[2-[2-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-2-yl]oxy]-dimethylsilane;dichlorozirconium?
The IUPAC name of tert-butyl-[[1-[2-[2-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-2-yl]oxy]-dimethylsilane;dichlorozirconium (CID 87517651) is tert-butyl-[[1-[2-[2-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-2-yl]oxy]-dimethylsilane;dichlorozirconium.
What is the SMILES notation for tert-butyl-[[1-[2-[2-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-2-yl]oxy]-dimethylsilane;dichlorozirconium?
The canonical SMILES for tert-butyl-[[1-[2-[2-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-2-yl]oxy]-dimethylsilane;dichlorozirconium is CC(C)(C)[Si](C)(C)OC1=Cc2ccccc2C1[CH-]CC1C(O[Si](C)(C)C(C)(C)C)=Cc2ccccc21.Cl[Zr]Cl.
What is the InChIKey of tert-butyl-[[1-[2-[2-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-2-yl]oxy]-dimethylsilane;dichlorozirconium?
The InChIKey is VPTGMJXVBOJQCO-UHFFFAOYSA-L. The full InChI is InChI=1S/C32H45O2Si2.2ClH.Zr/c1-31(2,3)35(7,8)33-29-21-23-15-11-13-17-25(23)27(29)19-20-28-26-18-14-12-16-24(26)22-30(28)34-36(9,10)32(4,5)6;;;/h11-19,21-22,27-28H,20H2,1-10H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of tert-butyl-[[1-[2-[2-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-2-yl]oxy]-dimethylsilane;dichlorozirconium?
tert-butyl-[[1-[2-[2-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-2-yl]oxy]-dimethylsilane;dichlorozirconium has a molecular weight of 680.01 g/mol, XLogP of 11.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[1-[2-[2-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-2-yl]oxy]-dimethylsilane;dichlorozirconium is sourced from PubChem (CID 87517651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).