tert-butyl-[[1-[tert-butyl(diphenyl)silyl]oxy-1H-inden-2-yl]oxy]-diphenylsilane

C41H44O2Si2 — CID 173164965

IUPACtert-butyl-[[1-[tert-butyl(diphenyl)silyl]oxy-1H-inden-2-yl]oxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC1=Cc2ccccc2C1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H44O2Si2/c1-40(2,3)44(33-22-11-7-12-23-33,34-24-13-8-14-25-34)42-38-31-32-21-19-20-30-37(32)39(38)43-45(41(4,5)6,35-26-15-9-16-27-35)36-28-17-10-18-29-36/h7-31,39H,1-6H3
InChIKeyQBRUONQGYMPFBG-UHFFFAOYSA-N
MW624.97 g/mol
LogP8.24
Rot. Bonds8

About tert-butyl-[[1-[tert-butyl(diphenyl)silyl]oxy-1H-inden-2-yl]oxy]-diphenylsilane

tert-butyl-[[1-[tert-butyl(diphenyl)silyl]oxy-1H-inden-2-yl]oxy]-diphenylsilane (PubChem CID 173164965) has the molecular formula C41H44O2Si2 and a molecular weight of 624.97 g/mol. Its IUPAC name is tert-butyl-[[1-[tert-butyl(diphenyl)silyl]oxy-1H-inden-2-yl]oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[1-[tert-butyl(diphenyl)silyl]oxy-1H-inden-2-yl]oxy]-diphenylsilane
PubChem CID173164965
Molecular FormulaC41H44O2Si2
Molecular Weight624.97 g/mol
Exact Mass624.29
IUPAC Nametert-butyl-[[1-[tert-butyl(diphenyl)silyl]oxy-1H-inden-2-yl]oxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC1=Cc2ccccc2C1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H44O2Si2/c1-40(2,3)44(33-22-11-7-12-23-33,34-24-13-8-14-25-34)42-38-31-32-21-19-20-30-37(32)39(38)43-45(41(4,5)6,35-26-15-9-16-27-35)36-28-17-10-18-29-36/h7-31,39H,1-6H3
InChIKeyQBRUONQGYMPFBG-UHFFFAOYSA-N
XLogP8.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.97
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane
CID 69332486
butyl-[[1-[butyl(dimethyl)silyl]oxy-1H-inden-2-yl]oxy]-dimethylsilane
CID 91131529
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
CID 158022147
[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
CID 140590234
tert-butyl-diphenyl-trimethylsilyloxysilane
CID 3876189
4-[tert-butyl(diphenyl)silyl]oxy-2-methylcyclopentan-1-amine
CID 142751894
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
CID 173246388
CID 173246388

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[1-[tert-butyl(diphenyl)silyl]oxy-1H-inden-2-yl]oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[1-[tert-butyl(diphenyl)silyl]oxy-1H-inden-2-yl]oxy]-diphenylsilane (CID 173164965) is tert-butyl-[[1-[tert-butyl(diphenyl)silyl]oxy-1H-inden-2-yl]oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[1-[tert-butyl(diphenyl)silyl]oxy-1H-inden-2-yl]oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[1-[tert-butyl(diphenyl)silyl]oxy-1H-inden-2-yl]oxy]-diphenylsilane is CC(C)(C)[Si](OC1=Cc2ccccc2C1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[1-[tert-butyl(diphenyl)silyl]oxy-1H-inden-2-yl]oxy]-diphenylsilane?
The InChIKey is QBRUONQGYMPFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H44O2Si2/c1-40(2,3)44(33-22-11-7-12-23-33,34-24-13-8-14-25-34)42-38-31-32-21-19-20-30-37(32)39(38)43-45(41(4,5)6,35-26-15-9-16-27-35)36-28-17-10-18-29-36/h7-31,39H,1-6H3.
What are the key properties of tert-butyl-[[1-[tert-butyl(diphenyl)silyl]oxy-1H-inden-2-yl]oxy]-diphenylsilane?
tert-butyl-[[1-[tert-butyl(diphenyl)silyl]oxy-1H-inden-2-yl]oxy]-diphenylsilane has a molecular weight of 624.97 g/mol, XLogP of 8.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[1-[tert-butyl(diphenyl)silyl]oxy-1H-inden-2-yl]oxy]-diphenylsilane is sourced from PubChem (CID 173164965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).