tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane

C41H44O2Si2 — CID 69332486

IUPACtert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane
SMILESCC(C)(C)[Si](Oc1cccc2c1C(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C=C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H44O2Si2/c1-40(2,3)44(33-21-11-7-12-22-33,34-23-13-8-14-24-34)42-37-29-19-20-32-30-31-38(39(32)37)43-45(41(4,5)6,35-25-15-9-16-26-35)36-27-17-10-18-28-36/h7-31,38H,1-6H3
InChIKeyFZTBQCKYCLVISG-UHFFFAOYSA-N
MW624.97 g/mol
LogP8.27
Rot. Bonds8

About tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane

tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane (PubChem CID 69332486) has the molecular formula C41H44O2Si2 and a molecular weight of 624.97 g/mol. Its IUPAC name is tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane
PubChem CID69332486
Molecular FormulaC41H44O2Si2
Molecular Weight624.97 g/mol
Exact Mass624.29
IUPAC Nametert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane
SMILESCC(C)(C)[Si](Oc1cccc2c1C(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C=C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H44O2Si2/c1-40(2,3)44(33-21-11-7-12-22-33,34-23-13-8-14-24-34)42-37-29-19-20-32-30-31-38(39(32)37)43-45(41(4,5)6,35-25-15-9-16-26-35)36-27-17-10-18-28-36/h7-31,38H,1-6H3
InChIKeyFZTBQCKYCLVISG-UHFFFAOYSA-N
XLogP8.27
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 ≤ 58.27
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-[[1-[tert-butyl(diphenyl)silyl]oxy-1H-inden-2-yl]oxy]-diphenylsilane
CID 173164965
tert-butyl-[(1-cyclopenta-1,4-dien-1-yl-1H-inden-4-yl)oxy]-diphenylsilane
CID 87787763
tert-butyl-(2-nitrophenoxy)-diphenylsilane
CID 91423635
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane
CID 101450805
(3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane
CID 173074395
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane
CID 101484237
4-[tert-butyl(diphenyl)silyl]oxy-5-(thiophen-3-ylmethylidene)cyclopent-2-en-1-one
CID 72517619
(4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazole-4-carbaldehyde
CID 11430731
tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
CID 102008296
(1R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-ol
CID 11739262

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane (CID 69332486) is tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane is CC(C)(C)[Si](Oc1cccc2c1C(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C=C2)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane?
The InChIKey is FZTBQCKYCLVISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H44O2Si2/c1-40(2,3)44(33-21-11-7-12-22-33,34-23-13-8-14-24-34)42-37-29-19-20-32-30-31-38(39(32)37)43-45(41(4,5)6,35-25-15-9-16-26-35)36-27-17-10-18-28-36/h7-31,38H,1-6H3.
What are the key properties of tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane?
tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane has a molecular weight of 624.97 g/mol, XLogP of 8.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-[tert-butyl(diphenyl)silyl]oxy-3H-inden-4-yl]oxy]-diphenylsilane is sourced from PubChem (CID 69332486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).