[(2R,3R)-3-(benzenesulfonyl)-3-benzyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane

C22H30O4SSi — CID 14385208

IUPAC[(2R,3R)-3-(benzenesulfonyl)-3-benzyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@]1(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H30O4SSi/c1-21(2,3)28(4,5)25-17-20-22(26-20,16-18-12-8-6-9-13-18)27(23,24)19-14-10-7-11-15-19/h6-15,20H,16-17H2,1-5H3/t20-,22-/m1/s1
InChIKeyQVQGGLBXYBVTGX-IFMALSPDSA-N
MW418.63 g/mol
LogP4.82
Rot. Bonds7

About [(2R,3R)-3-(benzenesulfonyl)-3-benzyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3R)-3-(benzenesulfonyl)-3-benzyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 14385208) has the molecular formula C22H30O4SSi and a molecular weight of 418.63 g/mol. Its IUPAC name is [(2R,3R)-3-(benzenesulfonyl)-3-benzyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R)-3-(benzenesulfonyl)-3-benzyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID14385208
Molecular FormulaC22H30O4SSi
Molecular Weight418.63 g/mol
Exact Mass418.16
IUPAC Name[(2R,3R)-3-(benzenesulfonyl)-3-benzyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@]1(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H30O4SSi/c1-21(2,3)28(4,5)25-17-20-22(26-20,16-18-12-8-6-9-13-18)27(23,24)19-14-10-7-11-15-19/h6-15,20H,16-17H2,1-5H3/t20-,22-/m1/s1
InChIKeyQVQGGLBXYBVTGX-IFMALSPDSA-N
XLogP4.82
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.63
LogP ≤ 54.82
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

[(2R,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane
CID 14385187
(2R,3R)-2-(benzenesulfonyl)-2-methyl-3-(phenylmethoxymethyl)oxirane
CID 14385190
tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S)-3-triethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methoxy]-diphenylsilane
CID 101267916
tert-butyl-dimethyl-[(2R)-1-[2-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)oxiran-2-yl]propan-2-yl]oxysilane
CID 134938185
tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyloxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane
CID 134955124
[(2S,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane
CID 134997163
[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-phenylmethanol
CID 9980387
[(2R,3R)-3-(benzenesulfonyl)-3-hexyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10070297
1-[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-phenylpropan-1-ol
CID 10322135
[(2R,3R)-3-(benzenesulfonyl)-3-pentyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10386180
[(2R,3R)-3-(benzenesulfonyl)-3-[(E)-3-phenylprop-2-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10388772
[(2R,3R)-3-(benzenesulfonyl)-3-prop-2-enyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10406752

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-(benzenesulfonyl)-3-benzyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R)-3-(benzenesulfonyl)-3-benzyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane (CID 14385208) is [(2R,3R)-3-(benzenesulfonyl)-3-benzyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R)-3-(benzenesulfonyl)-3-benzyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R)-3-(benzenesulfonyl)-3-benzyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@]1(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R,3R)-3-(benzenesulfonyl)-3-benzyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is QVQGGLBXYBVTGX-IFMALSPDSA-N. The full InChI is InChI=1S/C22H30O4SSi/c1-21(2,3)28(4,5)25-17-20-22(26-20,16-18-12-8-6-9-13-18)27(23,24)19-14-10-7-11-15-19/h6-15,20H,16-17H2,1-5H3/t20-,22-/m1/s1.
What are the key properties of [(2R,3R)-3-(benzenesulfonyl)-3-benzyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3R)-3-(benzenesulfonyl)-3-benzyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 418.63 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-(benzenesulfonyl)-3-benzyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 14385208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).