tert-butyl-[(1-cyclopenta-1,4-dien-1-yl-1H-inden-4-yl)oxy]-diphenylsilane

C30H30OSi — CID 87787763

IUPACtert-butyl-[(1-cyclopenta-1,4-dien-1-yl-1H-inden-4-yl)oxy]-diphenylsilane
SMILESCC(C)(C)[Si](Oc1cccc2c1C=CC2C1=CCC=C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30OSi/c1-30(2,3)32(24-15-6-4-7-16-24,25-17-8-5-9-18-25)31-29-20-12-19-27-26(21-22-28(27)29)23-13-10-11-14-23/h4-10,12-22,26H,11H2,1-3H3
InChIKeyWZIGIXQLYXLNIX-UHFFFAOYSA-N
MW434.66 g/mol
LogP6.62
Rot. Bonds5

About tert-butyl-[(1-cyclopenta-1,4-dien-1-yl-1H-inden-4-yl)oxy]-diphenylsilane

tert-butyl-[(1-cyclopenta-1,4-dien-1-yl-1H-inden-4-yl)oxy]-diphenylsilane (PubChem CID 87787763) has the molecular formula C30H30OSi and a molecular weight of 434.66 g/mol. Its IUPAC name is tert-butyl-[(1-cyclopenta-1,4-dien-1-yl-1H-inden-4-yl)oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(1-cyclopenta-1,4-dien-1-yl-1H-inden-4-yl)oxy]-diphenylsilane
PubChem CID87787763
Molecular FormulaC30H30OSi
Molecular Weight434.66 g/mol
Exact Mass434.21
IUPAC Nametert-butyl-[(1-cyclopenta-1,4-dien-1-yl-1H-inden-4-yl)oxy]-diphenylsilane
SMILESCC(C)(C)[Si](Oc1cccc2c1C=CC2C1=CCC=C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30OSi/c1-30(2,3)32(24-15-6-4-7-16-24,25-17-8-5-9-18-25)31-29-20-12-19-27-26(21-22-28(27)29)23-13-10-11-14-23/h4-10,12-22,26H,11H2,1-3H3
InChIKeyWZIGIXQLYXLNIX-UHFFFAOYSA-N
XLogP6.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.66
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
(5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane
CID 18367327
tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane
CID 101450805
2-[tert-butyl(diphenyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-amine
CID 66696715
tert-butyl-[[1-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-4-yl]oxy]-dimethylsilane
CID 23539509
ethyl (1S,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 54371121
tert-butyl-(2-nitrophenoxy)-diphenylsilane
CID 91423635
4-[7-[tert-butyl(diphenyl)silyl]oxyindazol-1-yl]piperidine-1-carboxylic acid
CID 172707926
ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate
CID 54011243
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate
CID 70187793
(3-benzhydryl-2-methoxyphenoxy)-tert-butyl-diphenylsilane
CID 173074395

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1-cyclopenta-1,4-dien-1-yl-1H-inden-4-yl)oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(1-cyclopenta-1,4-dien-1-yl-1H-inden-4-yl)oxy]-diphenylsilane (CID 87787763) is tert-butyl-[(1-cyclopenta-1,4-dien-1-yl-1H-inden-4-yl)oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(1-cyclopenta-1,4-dien-1-yl-1H-inden-4-yl)oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(1-cyclopenta-1,4-dien-1-yl-1H-inden-4-yl)oxy]-diphenylsilane is CC(C)(C)[Si](Oc1cccc2c1C=CC2C1=CCC=C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(1-cyclopenta-1,4-dien-1-yl-1H-inden-4-yl)oxy]-diphenylsilane?
The InChIKey is WZIGIXQLYXLNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30OSi/c1-30(2,3)32(24-15-6-4-7-16-24,25-17-8-5-9-18-25)31-29-20-12-19-27-26(21-22-28(27)29)23-13-10-11-14-23/h4-10,12-22,26H,11H2,1-3H3.
What are the key properties of tert-butyl-[(1-cyclopenta-1,4-dien-1-yl-1H-inden-4-yl)oxy]-diphenylsilane?
tert-butyl-[(1-cyclopenta-1,4-dien-1-yl-1H-inden-4-yl)oxy]-diphenylsilane has a molecular weight of 434.66 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1-cyclopenta-1,4-dien-1-yl-1H-inden-4-yl)oxy]-diphenylsilane is sourced from PubChem (CID 87787763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).