[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane

C28H34O4SSi — CID 134937816

IUPAC[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane
SMILESCC(C)C(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H34O4SSi/c1-21(2)25(26-27(31-26)33(29,30)22-15-9-6-10-16-22)32-34(28(3,4)5,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-21,25-27H,1-5H3/t25?,26-,27-/m1/s1
InChIKeyFXUBSTAKOUHYEY-NODVFIEMSA-N
MW494.73 g/mol
LogP4.79
Rot. Bonds8

About [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane

[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane (PubChem CID 134937816) has the molecular formula C28H34O4SSi and a molecular weight of 494.73 g/mol. Its IUPAC name is [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane
PubChem CID134937816
Molecular FormulaC28H34O4SSi
Molecular Weight494.73 g/mol
Exact Mass494.19
IUPAC Name[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane
SMILESCC(C)C(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H34O4SSi/c1-21(2)25(26-27(31-26)33(29,30)22-15-9-6-10-16-22)32-34(28(3,4)5,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-21,25-27H,1-5H3/t25?,26-,27-/m1/s1
InChIKeyFXUBSTAKOUHYEY-NODVFIEMSA-N
XLogP4.79
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.73
LogP ≤ 54.79
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)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10914452
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
[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane
CID 10994068
tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyloxiran-2-yl]methoxy]-diphenylsilane
CID 10994473
[(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane
CID 14240060
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 15935893
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-diphenylsilane
CID 16081893
2-[(2S,3S,4R,5S)-3-(benzenesulfonylmethyl)-5-(iodomethyl)-4-methoxyoxolan-2-yl]ethoxy-tert-butyl-diphenylsilane
CID 134844184
2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-prop-2-enyloxolan-2-yl]ethoxy-tert-butyl-diphenylsilane
CID 134844185
[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]methanol
CID 134844713
[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134878363

Frequently Asked Questions

What is the IUPAC name of [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane (CID 134937816) is [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane is CC(C)C(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane?
The InChIKey is FXUBSTAKOUHYEY-NODVFIEMSA-N. The full InChI is InChI=1S/C28H34O4SSi/c1-21(2)25(26-27(31-26)33(29,30)22-15-9-6-10-16-22)32-34(28(3,4)5,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-21,25-27H,1-5H3/t25?,26-,27-/m1/s1.
What are the key properties of [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane?
[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane has a molecular weight of 494.73 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 134937816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).