[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane

C26H32O3SSi — CID 10994068

IUPAC[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C26H32O3SSi/c1-22(21-30(27,28)23-14-8-5-9-15-23)20-29-31(26(2,3)4,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22H,20-21H2,1-4H3/t22-/m1/s1
InChIKeyAVTFNWJNRSUTBJ-JOCHJYFZSA-N
MW452.69 g/mol
LogP4.67
Rot. Bonds8

About [(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane

[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane (PubChem CID 10994068) has the molecular formula C26H32O3SSi and a molecular weight of 452.69 g/mol. Its IUPAC name is [(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane
PubChem CID10994068
Molecular FormulaC26H32O3SSi
Molecular Weight452.69 g/mol
Exact Mass452.18
IUPAC Name[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C26H32O3SSi/c1-22(21-30(27,28)23-14-8-5-9-15-23)20-29-31(26(2,3)4,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22H,20-21H2,1-4H3/t22-/m1/s1
InChIKeyAVTFNWJNRSUTBJ-JOCHJYFZSA-N
XLogP4.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.69
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyldiphenyl(2-(phenylsulfonyl)ethyl)silane
CID 11014023
[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619
Tert-butyl(dimethyl)[[(2R)-2-methyl-3-(phenylsulfonyl)propyl]oxy]silane
CID 11142051
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
CID 11782846
3-(Benzenesulfonyl)propyl-triethoxysilane
CID 90226898
(2Z,6Z,10Z)-1-(tert-Butyldiphenylsilyloxy)-9-benzenesulfonyl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 131749538
Methyldiphenyl(2-(phenylsulfonyl)allyl)silane
CID 166637015
[2-(Benzenesulfonyl)-2-fluoroethyl]-methyl-diphenylsilane
CID 10981893
[1-(Benzenesulfonyl)-2-cyclohexylidenepropyl]-trimethylsilane
CID 10860667
tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane
CID 10863530
Tert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane
CID 10981586

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane (CID 10994068) is [(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane is C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CS(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane?
The InChIKey is AVTFNWJNRSUTBJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H32O3SSi/c1-22(21-30(27,28)23-14-8-5-9-15-23)20-29-31(26(2,3)4,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22H,20-21H2,1-4H3/t22-/m1/s1.
What are the key properties of [(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane?
[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane has a molecular weight of 452.69 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 10994068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).