[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-triphenylsilane

C30H30O4SSi — CID 134936973

IUPAC[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-triphenylsilane
SMILESCC(C)C(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H30O4SSi/c1-23(2)28(29-30(33-29)35(31,32)24-15-7-3-8-16-24)34-36(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-23,28-30H,1-2H3/t28?,29-,30-/m1/s1
InChIKeyACPVQYSLXZLDOJ-GVKMRLRKSA-N
MW514.72 g/mol
LogP3.89
Rot. Bonds9

About [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-triphenylsilane

[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-triphenylsilane (PubChem CID 134936973) has the molecular formula C30H30O4SSi and a molecular weight of 514.72 g/mol. Its IUPAC name is [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-triphenylsilane.

Molecular Properties

Compound Name[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-triphenylsilane
PubChem CID134936973
Molecular FormulaC30H30O4SSi
Molecular Weight514.72 g/mol
Exact Mass514.16
IUPAC Name[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-triphenylsilane
SMILESCC(C)C(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H30O4SSi/c1-23(2)28(29-30(33-29)35(31,32)24-15-7-3-8-16-24)34-36(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-23,28-30H,1-2H3/t28?,29-,30-/m1/s1
InChIKeyACPVQYSLXZLDOJ-GVKMRLRKSA-N
XLogP3.89
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.72
LogP ≤ 53.89
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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
tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyloxiran-2-yl]methoxy]-diphenylsilane
CID 10994473
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane
CID 15935891
1,1-Bis(benzenesulfonyl)octa-6,7-dien-4-yloxy-tert-butyl-diphenylsilane
CID 101929825
[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane
CID 134936211
[1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane
CID 134937814
[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane
CID 134937816
tert-butyl-[(2S)-4-(4-methylphenyl)sulfonyl-2-[(1S)-1-[(2R)-oxiran-2-yl]propoxy]butoxy]-diphenylsilane
CID 10626812
(Z,3S,4R)-6-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 10696994
(4S,5R,6S)-7-(benzenesulfonyl)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 11060415
[(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane
CID 15935855

Frequently Asked Questions

What is the IUPAC name of [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-triphenylsilane?
The IUPAC name of [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-triphenylsilane (CID 134936973) is [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-triphenylsilane.
What is the SMILES notation for [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-triphenylsilane?
The canonical SMILES for [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-triphenylsilane is CC(C)C(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-triphenylsilane?
The InChIKey is ACPVQYSLXZLDOJ-GVKMRLRKSA-N. The full InChI is InChI=1S/C30H30O4SSi/c1-23(2)28(29-30(33-29)35(31,32)24-15-7-3-8-16-24)34-36(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-23,28-30H,1-2H3/t28?,29-,30-/m1/s1.
What are the key properties of [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-triphenylsilane?
[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-triphenylsilane has a molecular weight of 514.72 g/mol, XLogP of 3.89, 9 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]-triphenylsilane is sourced from PubChem (CID 134936973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).