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

C24H34O4SSi — CID 10433715

IUPAC[(2R,3R)-3-(benzenesulfonyl)-3-(3-phenylpropyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@]1(CCCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H34O4SSi/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/h6-11,13-14,16-17,22H,12,15,18-19H2,1-5H3/t22-,24-/m1/s1
InChIKeyQBRHPXWEINIHQI-ISKFKSNPSA-N
MW446.69 g/mol
LogP5.60
Rot. Bonds9

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

[(2R,3R)-3-(benzenesulfonyl)-3-(3-phenylpropyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10433715) has the molecular formula C24H34O4SSi and a molecular weight of 446.69 g/mol. Its IUPAC name is [(2R,3R)-3-(benzenesulfonyl)-3-(3-phenylpropyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R)-3-(benzenesulfonyl)-3-(3-phenylpropyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID10433715
Molecular FormulaC24H34O4SSi
Molecular Weight446.69 g/mol
Exact Mass446.19
IUPAC Name[(2R,3R)-3-(benzenesulfonyl)-3-(3-phenylpropyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@]1(CCCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H34O4SSi/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/h6-11,13-14,16-17,22H,12,15,18-19H2,1-5H3/t22-,24-/m1/s1
InChIKeyQBRHPXWEINIHQI-ISKFKSNPSA-N
XLogP5.60
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.69
LogP ≤ 55.60
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

tert-butyl-[2-[(2R,7S)-7-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyloxepan-2-yl]ethoxy]-diphenylsilane
CID 11061020
[(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane
CID 11092607
[(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane
CID 11133706
[(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
tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S)-3-triethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methoxy]-diphenylsilane
CID 101267916
[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-pentyloxan-2-yl]methyl 4-methylbenzenesulfonate
CID 134836960
[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
tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S,5S,6R)-3,5,6-trimethyl-3-trimethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane
CID 134955102
tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyloxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane
CID 134955124

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-(benzenesulfonyl)-3-(3-phenylpropyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R)-3-(benzenesulfonyl)-3-(3-phenylpropyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane (CID 10433715) is [(2R,3R)-3-(benzenesulfonyl)-3-(3-phenylpropyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R)-3-(benzenesulfonyl)-3-(3-phenylpropyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R)-3-(benzenesulfonyl)-3-(3-phenylpropyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@]1(CCCc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R,3R)-3-(benzenesulfonyl)-3-(3-phenylpropyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is QBRHPXWEINIHQI-ISKFKSNPSA-N. The full InChI is InChI=1S/C24H34O4SSi/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/h6-11,13-14,16-17,22H,12,15,18-19H2,1-5H3/t22-,24-/m1/s1.
What are the key properties of [(2R,3R)-3-(benzenesulfonyl)-3-(3-phenylpropyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3R)-3-(benzenesulfonyl)-3-(3-phenylpropyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 446.69 g/mol, XLogP of 5.60, 9 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-(3-phenylpropyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10433715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).