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

C28H34O4SSi — CID 15935882

IUPAC[(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-diphenylsilane
SMILESCCC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H34O4SSi/c1-5-15-25(26-27(31-26)33(29,30)22-16-9-6-10-17-22)32-34(28(2,3)4,23-18-11-7-12-19-23)24-20-13-8-14-21-24/h6-14,16-21,25-27H,5,15H2,1-4H3/t25-,26+,27+/m0/s1
InChIKeyCHDICNYCMQSFCO-OYUWMTPXSA-N
MW494.73 g/mol
LogP4.93
Rot. Bonds9

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

[(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-diphenylsilane (PubChem CID 15935882) has the molecular formula C28H34O4SSi and a molecular weight of 494.73 g/mol. Its IUPAC name is [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-diphenylsilane
PubChem CID15935882
Molecular FormulaC28H34O4SSi
Molecular Weight494.73 g/mol
Exact Mass494.19
IUPAC Name[(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-diphenylsilane
SMILESCCC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H34O4SSi/c1-5-15-25(26-27(31-26)33(29,30)22-16-9-6-10-17-22)32-34(28(2,3)4,23-18-11-7-12-19-23)24-20-13-8-14-21-24/h6-14,16-21,25-27H,5,15H2,1-4H3/t25-,26+,27+/m0/s1
InChIKeyCHDICNYCMQSFCO-OYUWMTPXSA-N
XLogP4.93
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.73
LogP ≤ 54.93
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
[(2S,3R)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 11735083
[(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
1,1-Bis(benzenesulfonyl)octa-6,7-dien-4-yloxy-tert-butyl-diphenylsilane
CID 101929825
[(3S,4R,5S,6S)-2-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 102281305
[(2S,3R,4S,5S,6S)-2-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 132575049
[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134878363

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-diphenylsilane (CID 15935882) is [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-diphenylsilane is CCC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-diphenylsilane?
The InChIKey is CHDICNYCMQSFCO-OYUWMTPXSA-N. The full InChI is InChI=1S/C28H34O4SSi/c1-5-15-25(26-27(31-26)33(29,30)22-16-9-6-10-17-22)32-34(28(2,3)4,23-18-11-7-12-19-23)24-20-13-8-14-21-24/h6-14,16-21,25-27H,5,15H2,1-4H3/t25-,26+,27+/m0/s1.
What are the key properties of [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-diphenylsilane?
[(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-diphenylsilane has a molecular weight of 494.73 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 15935882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).