tert-butyl-(1H-inden-2-yloxy)-dimethylsilane;dichlorozirconium;ethane

C17H27Cl2OSiZr- — CID 174434868

IUPACtert-butyl-(1H-inden-2-yloxy)-dimethylsilane;dichlorozirconium;ethane
SMILESCC(C)(C)[Si](C)(C)OC1=Cc2ccccc2C1.Cl[Zr]Cl.[CH2-]C
InChIInChI=1S/C15H22OSi.C2H5.2ClH.Zr/c1-15(2,3)17(4,5)16-14-10-12-8-6-7-9-13(12)11-14;1-2;;;/h6-10H,11H2,1-5H3;1H2,2H3;2*1H;/q;-1;;;+2/p-2
InChIKeyUTUWFSPJHWRNAH-UHFFFAOYSA-L
MW437.62 g/mol
LogP6.82
Rot. Bonds2

About tert-butyl-(1H-inden-2-yloxy)-dimethylsilane;dichlorozirconium;ethane

tert-butyl-(1H-inden-2-yloxy)-dimethylsilane;dichlorozirconium;ethane (PubChem CID 174434868) has the molecular formula C17H27Cl2OSiZr- and a molecular weight of 437.62 g/mol. Its IUPAC name is tert-butyl-(1H-inden-2-yloxy)-dimethylsilane;dichlorozirconium;ethane.

Molecular Properties

Compound Nametert-butyl-(1H-inden-2-yloxy)-dimethylsilane;dichlorozirconium;ethane
PubChem CID174434868
Molecular FormulaC17H27Cl2OSiZr-
Molecular Weight437.62 g/mol
Exact Mass435.03
IUPAC Nametert-butyl-(1H-inden-2-yloxy)-dimethylsilane;dichlorozirconium;ethane
SMILESCC(C)(C)[Si](C)(C)OC1=Cc2ccccc2C1.Cl[Zr]Cl.[CH2-]C
InChIInChI=1S/C15H22OSi.C2H5.2ClH.Zr/c1-15(2,3)17(4,5)16-14-10-12-8-6-7-9-13(12)11-14;1-2;;;/h6-10H,11H2,1-5H3;1H2,2H3;2*1H;/q;-1;;;+2/p-2
InChIKeyUTUWFSPJHWRNAH-UHFFFAOYSA-L
XLogP6.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.62
LogP ≤ 56.82
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'}

Analyze tert-butyl-(1H-inden-2-yloxy)-dimethylsilane;dichlorozirconium;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1H-inden-2-yloxy)-dimethylsilane;dichlorozirconium;ethane?
The IUPAC name of tert-butyl-(1H-inden-2-yloxy)-dimethylsilane;dichlorozirconium;ethane (CID 174434868) is tert-butyl-(1H-inden-2-yloxy)-dimethylsilane;dichlorozirconium;ethane.
What is the SMILES notation for tert-butyl-(1H-inden-2-yloxy)-dimethylsilane;dichlorozirconium;ethane?
The canonical SMILES for tert-butyl-(1H-inden-2-yloxy)-dimethylsilane;dichlorozirconium;ethane is CC(C)(C)[Si](C)(C)OC1=Cc2ccccc2C1.Cl[Zr]Cl.[CH2-]C.
What is the InChIKey of tert-butyl-(1H-inden-2-yloxy)-dimethylsilane;dichlorozirconium;ethane?
The InChIKey is UTUWFSPJHWRNAH-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H22OSi.C2H5.2ClH.Zr/c1-15(2,3)17(4,5)16-14-10-12-8-6-7-9-13(12)11-14;1-2;;;/h6-10H,11H2,1-5H3;1H2,2H3;2*1H;/q;-1;;;+2/p-2.
What are the key properties of tert-butyl-(1H-inden-2-yloxy)-dimethylsilane;dichlorozirconium;ethane?
tert-butyl-(1H-inden-2-yloxy)-dimethylsilane;dichlorozirconium;ethane has a molecular weight of 437.62 g/mol, XLogP of 6.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1H-inden-2-yloxy)-dimethylsilane;dichlorozirconium;ethane is sourced from PubChem (CID 174434868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).