[(2S)-2-(benzenesulfonylmethyl)-3-methylbutoxy]-tert-butyl-dimethylsilane

C18H32O3SSi — CID 99772183

IUPAC[(2S)-2-(benzenesulfonylmethyl)-3-methylbutoxy]-tert-butyl-dimethylsilane
SMILESCC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H32O3SSi/c1-15(2)16(13-21-23(6,7)18(3,4)5)14-22(19,20)17-11-9-8-10-12-17/h8-12,15-16H,13-14H2,1-7H3/t16-/m0/s1
InChIKeyQERUHXIRYRNEAJ-INIZCTEOSA-N
MW356.60 g/mol
LogP4.75
Rot. Bonds7

About [(2S)-2-(benzenesulfonylmethyl)-3-methylbutoxy]-tert-butyl-dimethylsilane

[(2S)-2-(benzenesulfonylmethyl)-3-methylbutoxy]-tert-butyl-dimethylsilane (PubChem CID 99772183) has the molecular formula C18H32O3SSi and a molecular weight of 356.60 g/mol. Its IUPAC name is [(2S)-2-(benzenesulfonylmethyl)-3-methylbutoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S)-2-(benzenesulfonylmethyl)-3-methylbutoxy]-tert-butyl-dimethylsilane
PubChem CID99772183
Molecular FormulaC18H32O3SSi
Molecular Weight356.60 g/mol
Exact Mass356.18
IUPAC Name[(2S)-2-(benzenesulfonylmethyl)-3-methylbutoxy]-tert-butyl-dimethylsilane
SMILESCC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H32O3SSi/c1-15(2)16(13-21-23(6,7)18(3,4)5)14-22(19,20)17-11-9-8-10-12-17/h8-12,15-16H,13-14H2,1-7H3/t16-/m0/s1
InChIKeyQERUHXIRYRNEAJ-INIZCTEOSA-N
XLogP4.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

AG-G-90643
CID 2724975
[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane
CID 11602512
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619
Tert-butyl(dimethyl)[[(2R)-2-methyl-3-(phenylsulfonyl)propyl]oxy]silane
CID 11142051
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
CID 11782846
3-(Benzenesulfonyl)propyl-triethoxysilane
CID 90226898
diethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane
CID 90224556
Diethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane
CID 90224596
Triethoxy-[3-(4-fluorophenyl)sulfonylpropyl]silane
CID 90226899
triethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]silane
CID 90226973
Tert-butyl-[(4-fluorophenyl)sulfonylmethoxy]-dimethylsilane
CID 156756223

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(benzenesulfonylmethyl)-3-methylbutoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2S)-2-(benzenesulfonylmethyl)-3-methylbutoxy]-tert-butyl-dimethylsilane (CID 99772183) is [(2S)-2-(benzenesulfonylmethyl)-3-methylbutoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S)-2-(benzenesulfonylmethyl)-3-methylbutoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S)-2-(benzenesulfonylmethyl)-3-methylbutoxy]-tert-butyl-dimethylsilane is CC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)CS(=O)(=O)c1ccccc1.
What is the InChIKey of [(2S)-2-(benzenesulfonylmethyl)-3-methylbutoxy]-tert-butyl-dimethylsilane?
The InChIKey is QERUHXIRYRNEAJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H32O3SSi/c1-15(2)16(13-21-23(6,7)18(3,4)5)14-22(19,20)17-11-9-8-10-12-17/h8-12,15-16H,13-14H2,1-7H3/t16-/m0/s1.
What are the key properties of [(2S)-2-(benzenesulfonylmethyl)-3-methylbutoxy]-tert-butyl-dimethylsilane?
[(2S)-2-(benzenesulfonylmethyl)-3-methylbutoxy]-tert-butyl-dimethylsilane has a molecular weight of 356.60 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(benzenesulfonylmethyl)-3-methylbutoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 99772183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).