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

C15H24O4SSi — CID 10065485

IUPAC[(2R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24O4SSi/c1-15(2,3)21(4,5)18-11-13-14(19-13)20(16,17)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3/t13-,14?/m1/s1
InChIKeyRVNYGTJJIWYBPN-KWCCSABGSA-N
MW328.51 g/mol
LogP3.21
Rot. Bonds5

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

[(2R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10065485) has the molecular formula C15H24O4SSi and a molecular weight of 328.51 g/mol. Its IUPAC name is [(2R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID10065485
Molecular FormulaC15H24O4SSi
Molecular Weight328.51 g/mol
Exact Mass328.12
IUPAC Name[(2R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24O4SSi/c1-15(2,3)21(4,5)18-11-13-14(19-13)20(16,17)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3/t13-,14?/m1/s1
InChIKeyRVNYGTJJIWYBPN-KWCCSABGSA-N
XLogP3.21
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 53.21
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,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 11762183
[(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane
CID 102288079
(2R,3R)-2-(benzenesulfonyl)-3-propyloxirane
CID 14532898
[(1S,2R,3R,4R,6S)-3-(benzenesulfonyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]oxy-tert-butyl-dimethylsilane
CID 15161214
tert-butyl-[[(4S,5S)-2,2-dioxo-5-phenyl-1,3,2-dioxathiolan-4-yl]methoxy]-dimethylsilane
CID 102524605
(2S,3S)-2-(benzenesulfonyl)-3-tert-butyloxirane
CID 101169297
[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] benzoate
CID 10832617
(2R,3R,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolane-3,4-diol
CID 54754367
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 76787690
2-(4-phenoxyphenyl)sulfonyl-3-propyloxirane
CID 11515236
[(2S,3S,4R,5R,6R)-6-[2-(benzenesulfonyl)ethyl]-5-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 99772740
tert-butyl-dimethyl-[[(2S,5R)-5-phenylsulfanyloxolan-2-yl]methoxy]silane
CID 102383882

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane (CID 10065485) is [(2R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1OC1S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is RVNYGTJJIWYBPN-KWCCSABGSA-N. The full InChI is InChI=1S/C15H24O4SSi/c1-15(2,3)21(4,5)18-11-13-14(19-13)20(16,17)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3/t13-,14?/m1/s1.
What are the key properties of [(2R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 328.51 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10065485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).