tert-butyl-[[(2R,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]methoxy]-diphenylsilane

C26H30O3SSi — CID 10863309

IUPACtert-butyl-[[(2R,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]methoxy]-diphenylsilane
SMILESCc1ccc([S@](=O)[C@H]2O[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C26H30O3SSi/c1-20-15-17-21(18-16-20)30(27)25-24(29-25)19-28-31(26(2,3)4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18,24-25H,19H2,1-4H3/t24-,25-,30+/m1/s1
InChIKeyZXKFGIJSFFTBEL-KQZWIPHESA-N
MW450.68 g/mol
LogP4.40
Rot. Bonds7

About tert-butyl-[[(2R,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2R,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]methoxy]-diphenylsilane (PubChem CID 10863309) has the molecular formula C26H30O3SSi and a molecular weight of 450.68 g/mol. Its IUPAC name is tert-butyl-[[(2R,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]methoxy]-diphenylsilane
PubChem CID10863309
Molecular FormulaC26H30O3SSi
Molecular Weight450.68 g/mol
Exact Mass450.17
IUPAC Nametert-butyl-[[(2R,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]methoxy]-diphenylsilane
SMILESCc1ccc([S@](=O)[C@H]2O[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C26H30O3SSi/c1-20-15-17-21(18-16-20)30(27)25-24(29-25)19-28-31(26(2,3)4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18,24-25H,19H2,1-4H3/t24-,25-,30+/m1/s1
InChIKeyZXKFGIJSFFTBEL-KQZWIPHESA-N
XLogP4.40
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.68
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-[2-[(2S,3R)-3-[(R)-(4-methylphenyl)sulfinyl]-3,6-dihydro-2H-pyran-2-yl]ethoxy]-diphenylsilane
CID 24769865
(NZ,R)-N-[[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-4-methylbenzenesulfinamide
CID 23281339
[(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 11762183
tert-butyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]-diphenylsilane
CID 134878629
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl] 4-methylbenzenesulfonate
CID 171126800
(Z,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpent-3-en-2-ol
CID 100945072
(E,2S)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-1-(4-methylphenyl)sulfinylpent-3-en-2-ol
CID 101461761
[(2R,3R)-3-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxiran-2-yl]methyl 4-methylbenzenesulfonate
CID 10864313
(2R,3R,4R)-4-bromo-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpentane-2,3-diol
CID 101048838
(2R,3S,4R)-4-bromo-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpentane-2,3-diol
CID 100945074
(2S,3R,4R)-4-bromo-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-1-(4-methylphenyl)sulfinylpentane-2,3-diol
CID 101461770
tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane
CID 166437595

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2R,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]methoxy]-diphenylsilane (CID 10863309) is tert-butyl-[[(2R,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2R,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]methoxy]-diphenylsilane is Cc1ccc([S@](=O)[C@H]2O[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[[(2R,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]methoxy]-diphenylsilane?
The InChIKey is ZXKFGIJSFFTBEL-KQZWIPHESA-N. The full InChI is InChI=1S/C26H30O3SSi/c1-20-15-17-21(18-16-20)30(27)25-24(29-25)19-28-31(26(2,3)4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18,24-25H,19H2,1-4H3/t24-,25-,30+/m1/s1.
What are the key properties of tert-butyl-[[(2R,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2R,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]methoxy]-diphenylsilane has a molecular weight of 450.68 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 10863309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).