[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane

C16H28O3SSi — CID 11012900

IUPAC[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H](CCS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O3SSi/c1-14(19-21(5,6)16(2,3)4)12-13-20(17,18)15-10-8-7-9-11-15/h7-11,14H,12-13H2,1-6H3/t14-/m0/s1
InChIKeyXHYMEQJLEDRCTK-AWEZNQCLSA-N
MW328.55 g/mol
LogP4.26
Rot. Bonds6

About [(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane

[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11012900) has the molecular formula C16H28O3SSi and a molecular weight of 328.55 g/mol. Its IUPAC name is [(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11012900
Molecular FormulaC16H28O3SSi
Molecular Weight328.55 g/mol
Exact Mass328.15
IUPAC Name[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H](CCS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O3SSi/c1-14(19-21(5,6)16(2,3)4)12-13-20(17,18)15-10-8-7-9-11-15/h7-11,14H,12-13H2,1-6H3/t14-/m0/s1
InChIKeyXHYMEQJLEDRCTK-AWEZNQCLSA-N
XLogP4.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.55
LogP ≤ 54.26
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

Phenyl Trimethylsilylmethyl Sulfone
CID 3290840
2-Propanol, 1-(phenylsulfonyl)-, (S)-
CID 11127286
1-(Benzenesulfonyl)propan-2-ol
CID 547258
Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
AG-G-90643
CID 2724975
[(E)-2-(benzenesulfonyl)ethenyl]-trimethylsilane
CID 11770575
tert-Butyl o-trimethylsilylphenyl sulfone
CID 546648
Pokqvywtzkeiiy-uhfffaoysa-
CID 11100654
[(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
(2R,3S,6E)-5-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-3-ol
CID 14704706
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane (CID 11012900) is [(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane is C[C@@H](CCS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is XHYMEQJLEDRCTK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28O3SSi/c1-14(19-21(5,6)16(2,3)4)12-13-20(17,18)15-10-8-7-9-11-15/h7-11,14H,12-13H2,1-6H3/t14-/m0/s1.
What are the key properties of [(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane?
[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 328.55 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11012900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).