[(2R)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-dimethylsilane

C17H30O3SSi — CID 11267890

IUPAC[(2R)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-dimethylsilane
SMILESC[C@H](CCS(=O)(=O)c1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3SSi/c1-15(14-20-22(5,6)17(2,3)4)12-13-21(18,19)16-10-8-7-9-11-16/h7-11,15H,12-14H2,1-6H3/t15-/m1/s1
InChIKeyNSLQXEKRUVWTFB-OAHLLOKOSA-N
MW342.58 g/mol
LogP4.51
Rot. Bonds7

About [(2R)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-dimethylsilane

[(2R)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-dimethylsilane (PubChem CID 11267890) has the molecular formula C17H30O3SSi and a molecular weight of 342.58 g/mol. Its IUPAC name is [(2R)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-dimethylsilane
PubChem CID11267890
Molecular FormulaC17H30O3SSi
Molecular Weight342.58 g/mol
Exact Mass342.17
IUPAC Name[(2R)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-dimethylsilane
SMILESC[C@H](CCS(=O)(=O)c1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3SSi/c1-15(14-20-22(5,6)17(2,3)4)12-13-21(18,19)16-10-8-7-9-11-16/h7-11,15H,12-14H2,1-6H3/t15-/m1/s1
InChIKeyNSLQXEKRUVWTFB-OAHLLOKOSA-N
XLogP4.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 54.51
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

Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
AG-G-90643
CID 2724975
3-Methylbutylsulfonylbenzene
CID 11229611
[(E)-2-(benzenesulfonyl)ethenyl]-trimethylsilane
CID 11770575
tert-Butyl o-trimethylsilylphenyl sulfone
CID 546648
[(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
4-(Phenylthio)-butyl monomethane sulfonate
CID 13550708
Triethoxy(2-phenylsulfanylethyl)silane
CID 13932527

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2R)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-dimethylsilane (CID 11267890) is [(2R)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-dimethylsilane is C[C@H](CCS(=O)(=O)c1ccccc1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-dimethylsilane?
The InChIKey is NSLQXEKRUVWTFB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H30O3SSi/c1-15(14-20-22(5,6)17(2,3)4)12-13-21(18,19)16-10-8-7-9-11-16/h7-11,15H,12-14H2,1-6H3/t15-/m1/s1.
What are the key properties of [(2R)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-dimethylsilane?
[(2R)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-dimethylsilane has a molecular weight of 342.58 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11267890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).