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

C25H28O4SSi — CID 11762183

IUPAC[(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H]1S(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O4SSi/c1-25(2,3)31(21-15-9-5-10-16-21,22-17-11-6-12-18-22)28-19-23-24(29-23)30(26,27)20-13-7-4-8-14-20/h4-18,23-24H,19H2,1-3H3/t23-,24+/m1/s1
InChIKeyLZYHUZZVVJVQOH-RPWUZVMVSA-N
MW452.65 g/mol
LogP3.76
Rot. Bonds7

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

[(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 11762183) has the molecular formula C25H28O4SSi and a molecular weight of 452.65 g/mol. Its IUPAC name is [(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID11762183
Molecular FormulaC25H28O4SSi
Molecular Weight452.65 g/mol
Exact Mass452.15
IUPAC Name[(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H]1S(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O4SSi/c1-25(2,3)31(21-15-9-5-10-16-21,22-17-11-6-12-18-22)28-19-23-24(29-23)30(26,27)20-13-7-4-8-14-20/h4-18,23-24H,19H2,1-3H3/t23-,24+/m1/s1
InChIKeyLZYHUZZVVJVQOH-RPWUZVMVSA-N
XLogP3.76
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.65
LogP ≤ 53.76
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)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10065485
[(2S,4R)-4-(benzenesulfonyl)-6-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 10973391
(2R,3R)-2-(benzenesulfonyl)-3-propyloxirane
CID 14532898
[(4S,5R)-5-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 101230365
tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane
CID 166437595
tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 46854165
tert-butyl-diphenyl-[[(2S,3R)-3-[[(2S,3R)-3-undecyloxiran-2-yl]methyl]oxiran-2-yl]methoxy]silane
CID 11145784
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 3319542
(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 101017191
(1R,4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 10571070
(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 11059112
(2S,3R,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 124925214

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane (CID 11762183) is [(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC[C@H]1O[C@H]1S(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is LZYHUZZVVJVQOH-RPWUZVMVSA-N. The full InChI is InChI=1S/C25H28O4SSi/c1-25(2,3)31(21-15-9-5-10-16-21,22-17-11-6-12-18-22)28-19-23-24(29-23)30(26,27)20-13-7-4-8-14-20/h4-18,23-24H,19H2,1-3H3/t23-,24+/m1/s1.
What are the key properties of [(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane?
[(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 452.65 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 11762183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).