[(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane

C22H38O4SSi — CID 11133706

IUPAC[(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@H](CS(=O)(=O)c1ccccc1)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC1CO1
InChIInChI=1S/C22H38O4SSi/c1-17(13-14-19-15-25-19)21(26-28(6,7)22(3,4)5)18(2)16-27(23,24)20-11-9-8-10-12-20/h8-12,17-19,21H,13-16H2,1-7H3/t17-,18+,19?,21+/m0/s1
InChIKeyUGJKNGLGLUOJOU-GPXSZDCPSA-N
MW426.70 g/mol
LogP5.30
Rot. Bonds10

About [(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane

[(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11133706) has the molecular formula C22H38O4SSi and a molecular weight of 426.70 g/mol. Its IUPAC name is [(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11133706
Molecular FormulaC22H38O4SSi
Molecular Weight426.70 g/mol
Exact Mass426.23
IUPAC Name[(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@H](CS(=O)(=O)c1ccccc1)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC1CO1
InChIInChI=1S/C22H38O4SSi/c1-17(13-14-19-15-25-19)21(26-28(6,7)22(3,4)5)18(2)16-27(23,24)20-11-9-8-10-12-20/h8-12,17-19,21H,13-16H2,1-7H3/t17-,18+,19?,21+/m0/s1
InChIKeyUGJKNGLGLUOJOU-GPXSZDCPSA-N
XLogP5.30
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.70
LogP ≤ 55.30
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

[(2S)-1-[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-3-methoxy-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane
CID 58991065
[(4R,5S,6S)-8-(benzenesulfonyl)-5-(methoxymethoxy)-4,6-dimethyloctoxy]-tert-butyl-diphenylsilane
CID 10438503
5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane
CID 10548912
[(2S,3S,6S)-1-(benzenesulfonyl)-2,6-dimethyloct-7-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 11004146
(2S,3R,4S,10S,11S,14S)-1,9-bis(benzenesulfonyl)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,10,14-tetramethylhexadec-15-en-7-ol
CID 11104839
[(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane
CID 14240060
[(1R)-1-[(2S,5R)-5-[(2S)-5-(benzenesulfonyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane
CID 52920662
[(E)-9-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-7-methyl-5-(4-methylphenyl)sulfonylnon-6-en-2-ynyl]-trimethylsilane
CID 134835502
[(2S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylsulfanylhexan-2-yl] methanesulfonate
CID 134880530
[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane
CID 134936211
[(2S,3S,5R,6S,11R)-5-(benzenesulfonyl)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134936858
[1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane
CID 134937814

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane (CID 11133706) is [(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane is C[C@H](CS(=O)(=O)c1ccccc1)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC1CO1.
What is the InChIKey of [(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is UGJKNGLGLUOJOU-GPXSZDCPSA-N. The full InChI is InChI=1S/C22H38O4SSi/c1-17(13-14-19-15-25-19)21(26-28(6,7)22(3,4)5)18(2)16-27(23,24)20-11-9-8-10-12-20/h8-12,17-19,21H,13-16H2,1-7H3/t17-,18+,19?,21+/m0/s1.
What are the key properties of [(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane?
[(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 426.70 g/mol, XLogP of 5.30, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11133706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).