butyl-[[1-[butyl(dimethyl)silyl]oxy-1H-inden-2-yl]oxy]-dimethylsilane

C21H36O2Si2 — CID 91131529

IUPACbutyl-[[1-[butyl(dimethyl)silyl]oxy-1H-inden-2-yl]oxy]-dimethylsilane
SMILESCCCC[Si](C)(C)OC1=Cc2ccccc2C1O[Si](C)(C)CCCC
InChIInChI=1S/C21H36O2Si2/c1-7-9-15-24(3,4)22-20-17-18-13-11-12-14-19(18)21(20)23-25(5,6)16-10-8-2/h11-14,17,21H,7-10,15-16H2,1-6H3
InChIKeyFNCIJAWEXMANRP-UHFFFAOYSA-N
MW376.69 g/mol
LogP7.13
Rot. Bonds10

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

butyl-[[1-[butyl(dimethyl)silyl]oxy-1H-inden-2-yl]oxy]-dimethylsilane (PubChem CID 91131529) has the molecular formula C21H36O2Si2 and a molecular weight of 376.69 g/mol. Its IUPAC name is butyl-[[1-[butyl(dimethyl)silyl]oxy-1H-inden-2-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Namebutyl-[[1-[butyl(dimethyl)silyl]oxy-1H-inden-2-yl]oxy]-dimethylsilane
PubChem CID91131529
Molecular FormulaC21H36O2Si2
Molecular Weight376.69 g/mol
Exact Mass376.23
IUPAC Namebutyl-[[1-[butyl(dimethyl)silyl]oxy-1H-inden-2-yl]oxy]-dimethylsilane
SMILESCCCC[Si](C)(C)OC1=Cc2ccccc2C1O[Si](C)(C)CCCC
InChIInChI=1S/C21H36O2Si2/c1-7-9-15-24(3,4)22-20-17-18-13-11-12-14-19(18)21(20)23-25(5,6)16-10-8-2/h11-14,17,21H,7-10,15-16H2,1-6H3
InChIKeyFNCIJAWEXMANRP-UHFFFAOYSA-N
XLogP7.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.69
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl-[[1-[butyl(dimethyl)silyl]oxy-1H-inden-2-yl]oxy]-dimethylsilane?
The IUPAC name of butyl-[[1-[butyl(dimethyl)silyl]oxy-1H-inden-2-yl]oxy]-dimethylsilane (CID 91131529) is butyl-[[1-[butyl(dimethyl)silyl]oxy-1H-inden-2-yl]oxy]-dimethylsilane.
What is the SMILES notation for butyl-[[1-[butyl(dimethyl)silyl]oxy-1H-inden-2-yl]oxy]-dimethylsilane?
The canonical SMILES for butyl-[[1-[butyl(dimethyl)silyl]oxy-1H-inden-2-yl]oxy]-dimethylsilane is CCCC[Si](C)(C)OC1=Cc2ccccc2C1O[Si](C)(C)CCCC.
What is the InChIKey of butyl-[[1-[butyl(dimethyl)silyl]oxy-1H-inden-2-yl]oxy]-dimethylsilane?
The InChIKey is FNCIJAWEXMANRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2Si2/c1-7-9-15-24(3,4)22-20-17-18-13-11-12-14-19(18)21(20)23-25(5,6)16-10-8-2/h11-14,17,21H,7-10,15-16H2,1-6H3.
What are the key properties of butyl-[[1-[butyl(dimethyl)silyl]oxy-1H-inden-2-yl]oxy]-dimethylsilane?
butyl-[[1-[butyl(dimethyl)silyl]oxy-1H-inden-2-yl]oxy]-dimethylsilane has a molecular weight of 376.69 g/mol, XLogP of 7.13, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[[1-[butyl(dimethyl)silyl]oxy-1H-inden-2-yl]oxy]-dimethylsilane is sourced from PubChem (CID 91131529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).