[(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane

C20H32O5SSi — CID 102288079

IUPAC[(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CC1OC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H32O5SSi/c1-20(2,3)27(4,5)25-16-12-9-13-23-17(16)14-18-19(24-18)26(21,22)15-10-7-6-8-11-15/h6-8,10-11,16-19H,9,12-14H2,1-5H3/t16-,17+,18?,19?/m0/s1
InChIKeyIPMTVQTZCHAFCC-FKAKGIQBSA-N
MW412.62 g/mol
LogP4.14
Rot. Bonds6

About [(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane

[(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 102288079) has the molecular formula C20H32O5SSi and a molecular weight of 412.62 g/mol. Its IUPAC name is [(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID102288079
Molecular FormulaC20H32O5SSi
Molecular Weight412.62 g/mol
Exact Mass412.17
IUPAC Name[(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CC1OC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H32O5SSi/c1-20(2,3)27(4,5)25-16-12-9-13-23-17(16)14-18-19(24-18)26(21,22)15-10-7-6-8-11-15/h6-8,10-11,16-19H,9,12-14H2,1-5H3/t16-,17+,18?,19?/m0/s1
InChIKeyIPMTVQTZCHAFCC-FKAKGIQBSA-N
XLogP4.14
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.62
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

[(2R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10065485
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl 4-methylbenzenesulfonate
CID 11269588
[(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 11762183
(3S)-3-bromo-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-4-phenylmethoxybutan-2-one
CID 100947243
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl (1Z)-N-phenylmethoxycarbonylethanimidate
CID 146164142
[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate
CID 177439885
(2R,4aR,8aS)-2-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]-4a-methyl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-3-one
CID 11200374
CID 136846141
CID 136846141
(1S,7S,8R,8aR)-8-(benzenesulfonyl)-1-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-ol
CID 134886788
(2R,3R)-2-(benzenesulfonyl)-3-propyloxirane
CID 14532898
(1R,4R,5S)-3-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohept-2-en-1-ol
CID 11246486
(1R,4S,5S)-3-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohept-2-en-1-ol
CID 11315459

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane (CID 102288079) is [(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CC1OC1S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is IPMTVQTZCHAFCC-FKAKGIQBSA-N. The full InChI is InChI=1S/C20H32O5SSi/c1-20(2,3)27(4,5)25-16-12-9-13-23-17(16)14-18-19(24-18)26(21,22)15-10-7-6-8-11-15/h6-8,10-11,16-19H,9,12-14H2,1-5H3/t16-,17+,18?,19?/m0/s1.
What are the key properties of [(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 412.62 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102288079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).