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

C25H28O4SSi — CID 10994066

IUPAC[(2S,3R)-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+/m0/s1
InChIKeyLZYHUZZVVJVQOH-BJKOFHAPSA-N
MW452.65 g/mol
LogP3.76
Rot. Bonds7

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

[(2S,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 10994066) has the molecular formula C25H28O4SSi and a molecular weight of 452.65 g/mol. Its IUPAC name is [(2S,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID10994066
Molecular FormulaC25H28O4SSi
Molecular Weight452.65 g/mol
Exact Mass452.15
IUPAC Name[(2S,3R)-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+/m0/s1
InChIKeyLZYHUZZVVJVQOH-BJKOFHAPSA-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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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2S,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane (CID 10994066) is [(2S,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S,3R)-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 [(2S,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is LZYHUZZVVJVQOH-BJKOFHAPSA-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+/m0/s1.
What are the key properties of [(2S,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane?
[(2S,3R)-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 [(2S,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 10994066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).