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

C27H32O4SSi — CID 10994473

IUPACtert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyloxiran-2-yl]methoxy]-diphenylsilane
SMILESCc1ccc(S(=O)(=O)[C@H]2O[C@@]2(C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C27H32O4SSi/c1-21-16-18-22(19-17-21)32(28,29)25-27(5,31-25)20-30-33(26(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-19,25H,20H2,1-5H3/t25-,27+/m1/s1
InChIKeyYENZCENVIHFGSI-VPUSJEBWSA-N
MW480.70 g/mol
LogP4.46
Rot. Bonds7

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

tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyloxiran-2-yl]methoxy]-diphenylsilane (PubChem CID 10994473) has the molecular formula C27H32O4SSi and a molecular weight of 480.70 g/mol. Its IUPAC name is tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyloxiran-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyloxiran-2-yl]methoxy]-diphenylsilane
PubChem CID10994473
Molecular FormulaC27H32O4SSi
Molecular Weight480.70 g/mol
Exact Mass480.18
IUPAC Nametert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyloxiran-2-yl]methoxy]-diphenylsilane
SMILESCc1ccc(S(=O)(=O)[C@H]2O[C@@]2(C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C27H32O4SSi/c1-21-16-18-22(19-17-21)32(28,29)25-27(5,31-25)20-30-33(26(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-19,25H,20H2,1-5H3/t25-,27+/m1/s1
InChIKeyYENZCENVIHFGSI-VPUSJEBWSA-N
XLogP4.46
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.70
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-oxo-phenyl-lambda6-sulfanylidene]-4-methylbenzenesulfonamide
CID 10504946
tert-butyl-[(1S)-1-[(2S,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]ethoxy]-diphenylsilane
CID 10983467
[(2S,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 10994066
tert-butyl-[2-[(2R,7S)-7-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyloxepan-2-yl]ethoxy]-diphenylsilane
CID 11061020
[(2R,3R)-3-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxiran-2-yl]methyl 4-methylbenzenesulfonate
CID 11071445
3-((Tert-butyldiphenylsilyl)oxy)propyl-1,1,2,2,3,3-d6 4-methylbenzene-sulfonate
CID 77134921
tert-butyl-[(3R)-3-[(3R)-1-iodo-5-methoxypentan-3-yl]oxy-5-(4-methylphenyl)sulfonylpentoxy]-diphenylsilane
CID 134882487
[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-triphenylsilane
CID 134936973
[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane
CID 134937816
tert-butyl-[(2Z,6Z,10E,14E)-3,7,11,15,19-pentamethyl-9-(4-methylphenyl)sulfonylicosa-2,6,10,14,18-pentaenoxy]-diphenylsilane
CID 138983507
[(2R,3R)-3-(benzenesulfonyl)-3-[(E)-3-phenylprop-2-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10388772
tert-butyl-[(2S)-2-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-4-(4-methylphenyl)sulfonylbutoxy]-diphenylsilane
CID 10555914

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyloxiran-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyloxiran-2-yl]methoxy]-diphenylsilane (CID 10994473) is tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyloxiran-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyloxiran-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyloxiran-2-yl]methoxy]-diphenylsilane is Cc1ccc(S(=O)(=O)[C@H]2O[C@@]2(C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyloxiran-2-yl]methoxy]-diphenylsilane?
The InChIKey is YENZCENVIHFGSI-VPUSJEBWSA-N. The full InChI is InChI=1S/C27H32O4SSi/c1-21-16-18-22(19-17-21)32(28,29)25-27(5,31-25)20-30-33(26(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-19,25H,20H2,1-5H3/t25-,27+/m1/s1.
What are the key properties of tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyloxiran-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyloxiran-2-yl]methoxy]-diphenylsilane has a molecular weight of 480.70 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyloxiran-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 10994473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).