tert-butyl-dimethyl-[(2R)-1-[2-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)oxiran-2-yl]propan-2-yl]oxysilane

C26H38O5SSi — CID 134938185

IUPACtert-butyl-dimethyl-[(2R)-1-[2-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)oxiran-2-yl]propan-2-yl]oxysilane
SMILESCc1ccc(S(=O)(=O)C2(C[C@@H](C)O[Si](C)(C)C(C)(C)C)OC2COCc2ccccc2)cc1
InChIInChI=1S/C26H38O5SSi/c1-20-13-15-23(16-14-20)32(27,28)26(17-21(2)31-33(6,7)25(3,4)5)24(30-26)19-29-18-22-11-9-8-10-12-22/h8-16,21,24H,17-19H2,1-7H3/t21-,24?,26?/m1/s1
InChIKeyGXPIKXCBWFJKDX-NGYDJQAMSA-N
MW490.74 g/mol
LogP5.88
Rot. Bonds10

About tert-butyl-dimethyl-[(2R)-1-[2-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)oxiran-2-yl]propan-2-yl]oxysilane

tert-butyl-dimethyl-[(2R)-1-[2-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)oxiran-2-yl]propan-2-yl]oxysilane (PubChem CID 134938185) has the molecular formula C26H38O5SSi and a molecular weight of 490.74 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R)-1-[2-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)oxiran-2-yl]propan-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R)-1-[2-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)oxiran-2-yl]propan-2-yl]oxysilane
PubChem CID134938185
Molecular FormulaC26H38O5SSi
Molecular Weight490.74 g/mol
Exact Mass490.22
IUPAC Nametert-butyl-dimethyl-[(2R)-1-[2-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)oxiran-2-yl]propan-2-yl]oxysilane
SMILESCc1ccc(S(=O)(=O)C2(C[C@@H](C)O[Si](C)(C)C(C)(C)C)OC2COCc2ccccc2)cc1
InChIInChI=1S/C26H38O5SSi/c1-20-13-15-23(16-14-20)32(27,28)26(17-21(2)31-33(6,7)25(3,4)5)24(30-26)19-29-18-22-11-9-8-10-12-22/h8-16,21,24H,17-19H2,1-7H3/t21-,24?,26?/m1/s1
InChIKeyGXPIKXCBWFJKDX-NGYDJQAMSA-N
XLogP5.88
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.74
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

tert-butyldimethyl(((2R,3R,4S,5R)-3,4,5-tris(benzyloxy)-6-((2-methylallyl)sulfonyl)tetrahydro-2H-pyran-2-yl)methoxy)silane
CID 162786686
[2-[1-[2-(2,4-Difluorophenyl)oxiran-2-yl]ethylsulfanyl]-1-(4-methylsulfonylphenyl)propoxy]-triethylsilane
CID 139706493
[(2S,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate
CID 10521683
[(2S,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate
CID 10783931
[(2R,3S,4S)-6-(benzenesulfonyl)-3-methyl-2-(4-phenylmethoxybutyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 10951578
(2R,3R)-2-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)oxirane
CID 10969181
2-(4-Methylphenyl)sulfonyl-3-(phenylmethoxymethyl)oxirane
CID 11130945
[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate
CID 13845286
(2R,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxirane
CID 14385182
(2R,3R)-2-(benzenesulfonyl)-2-deuterio-3-(phenylmethoxymethyl)oxirane
CID 14385184
[(2R,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane
CID 14385187
(2R,3R)-2-(benzenesulfonyl)-2-methyl-3-(phenylmethoxymethyl)oxirane
CID 14385190

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R)-1-[2-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)oxiran-2-yl]propan-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2R)-1-[2-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)oxiran-2-yl]propan-2-yl]oxysilane (CID 134938185) is tert-butyl-dimethyl-[(2R)-1-[2-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)oxiran-2-yl]propan-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R)-1-[2-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)oxiran-2-yl]propan-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2R)-1-[2-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)oxiran-2-yl]propan-2-yl]oxysilane is Cc1ccc(S(=O)(=O)C2(C[C@@H](C)O[Si](C)(C)C(C)(C)C)OC2COCc2ccccc2)cc1.
What is the InChIKey of tert-butyl-dimethyl-[(2R)-1-[2-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)oxiran-2-yl]propan-2-yl]oxysilane?
The InChIKey is GXPIKXCBWFJKDX-NGYDJQAMSA-N. The full InChI is InChI=1S/C26H38O5SSi/c1-20-13-15-23(16-14-20)32(27,28)26(17-21(2)31-33(6,7)25(3,4)5)24(30-26)19-29-18-22-11-9-8-10-12-22/h8-16,21,24H,17-19H2,1-7H3/t21-,24?,26?/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2R)-1-[2-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)oxiran-2-yl]propan-2-yl]oxysilane?
tert-butyl-dimethyl-[(2R)-1-[2-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)oxiran-2-yl]propan-2-yl]oxysilane has a molecular weight of 490.74 g/mol, XLogP of 5.88, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R)-1-[2-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)oxiran-2-yl]propan-2-yl]oxysilane is sourced from PubChem (CID 134938185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).