[(2R,3R)-3-(benzenesulfonyl)-3-[(E)-3-phenylprop-2-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane

C24H32O4SSi — CID 10388772

IUPAC[(2R,3R)-3-(benzenesulfonyl)-3-[(E)-3-phenylprop-2-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@]1(C/C=C/c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H32O4SSi/c1-23(2,3)30(4,5)27-19-22-24(28-22,18-12-15-20-13-8-6-9-14-20)29(25,26)21-16-10-7-11-17-21/h6-17,22H,18-19H2,1-5H3/b15-12+/t22-,24-/m1/s1
InChIKeySDDXSWUQBLAZGN-NSXBIEEASA-N
MW444.67 g/mol
LogP5.68
Rot. Bonds8

About [(2R,3R)-3-(benzenesulfonyl)-3-[(E)-3-phenylprop-2-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3R)-3-(benzenesulfonyl)-3-[(E)-3-phenylprop-2-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10388772) has the molecular formula C24H32O4SSi and a molecular weight of 444.67 g/mol. Its IUPAC name is [(2R,3R)-3-(benzenesulfonyl)-3-[(E)-3-phenylprop-2-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R)-3-(benzenesulfonyl)-3-[(E)-3-phenylprop-2-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID10388772
Molecular FormulaC24H32O4SSi
Molecular Weight444.67 g/mol
Exact Mass444.18
IUPAC Name[(2R,3R)-3-(benzenesulfonyl)-3-[(E)-3-phenylprop-2-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@]1(C/C=C/c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H32O4SSi/c1-23(2,3)30(4,5)27-19-22-24(28-22,18-12-15-20-13-8-6-9-14-20)29(25,26)21-16-10-7-11-17-21/h6-17,22H,18-19H2,1-5H3/b15-12+/t22-,24-/m1/s1
InChIKeySDDXSWUQBLAZGN-NSXBIEEASA-N
XLogP5.68
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.67
LogP ≤ 55.68
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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Launch Full Analysis

Related Compounds

tert-Butyl-dimethyl-[4-methyl-4-(3-trifluoromethyl-benzenesulfonyl)-tetrahydro-pyran-2-ylmethoxy]-silane
CID 131744000
N-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-oxo-phenyl-lambda6-sulfanylidene]-4-methylbenzenesulfonamide
CID 10504946
tert-butyl-[(1S)-1-[(2S,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]ethoxy]-diphenylsilane
CID 10983467
tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyloxiran-2-yl]methoxy]-diphenylsilane
CID 10994473
[(2R,3R)-3-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxiran-2-yl]methyl 4-methylbenzenesulfonate
CID 11071445
[(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane
CID 14240060
[(2R,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane
CID 14385187
[(2R,3R)-3-(benzenesulfonyl)-3-benzyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 14385208
[(1S,2S,6R,7S)-3-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylcyclohept-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 102254196
2-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]ethyl 4-methylbenzenesulfonate
CID 134836831
[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane
CID 134936211
1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy-tri(propan-2-yl)silane
CID 134937813

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-(benzenesulfonyl)-3-[(E)-3-phenylprop-2-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R)-3-(benzenesulfonyl)-3-[(E)-3-phenylprop-2-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane (CID 10388772) is [(2R,3R)-3-(benzenesulfonyl)-3-[(E)-3-phenylprop-2-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R)-3-(benzenesulfonyl)-3-[(E)-3-phenylprop-2-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R)-3-(benzenesulfonyl)-3-[(E)-3-phenylprop-2-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@]1(C/C=C/c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R,3R)-3-(benzenesulfonyl)-3-[(E)-3-phenylprop-2-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is SDDXSWUQBLAZGN-NSXBIEEASA-N. The full InChI is InChI=1S/C24H32O4SSi/c1-23(2,3)30(4,5)27-19-22-24(28-22,18-12-15-20-13-8-6-9-14-20)29(25,26)21-16-10-7-11-17-21/h6-17,22H,18-19H2,1-5H3/b15-12+/t22-,24-/m1/s1.
What are the key properties of [(2R,3R)-3-(benzenesulfonyl)-3-[(E)-3-phenylprop-2-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3R)-3-(benzenesulfonyl)-3-[(E)-3-phenylprop-2-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 444.67 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-(benzenesulfonyl)-3-[(E)-3-phenylprop-2-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10388772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).