[(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane

C18H32O3SSi — CID 101161742

IUPAC[(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@H](CCCCS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3SSi/c1-16(21-23(5,6)18(2,3)4)12-10-11-15-22(19,20)17-13-8-7-9-14-17/h7-9,13-14,16H,10-12,15H2,1-6H3/t16-/m1/s1
InChIKeySECOMWVGFLNQIL-MRXNPFEDSA-N
MW356.60 g/mol
LogP5.04
Rot. Bonds8

About [(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane

[(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 101161742) has the molecular formula C18H32O3SSi and a molecular weight of 356.60 g/mol. Its IUPAC name is [(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID101161742
Molecular FormulaC18H32O3SSi
Molecular Weight356.60 g/mol
Exact Mass356.18
IUPAC Name[(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@H](CCCCS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3SSi/c1-16(21-23(5,6)18(2,3)4)12-10-11-15-22(19,20)17-13-8-7-9-14-17/h7-9,13-14,16H,10-12,15H2,1-6H3/t16-/m1/s1
InChIKeySECOMWVGFLNQIL-MRXNPFEDSA-N
XLogP5.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Benzenesulfonyl)-3-propyloxirane
CID 14532897
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
(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
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-(t-Butyldi-methylsiloxy)-1-butenyl phenyl sulfide
CID 67779864
2-(Benzenesulfonyl)heptan-3-yl methanesulfonate
CID 88843487
3-(Benzenesulfonyl)propyl-triethoxysilane
CID 90226898
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
CID 101617074

Frequently Asked Questions

What is the IUPAC name of [(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane (CID 101161742) is [(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane is C[C@H](CCCCS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is SECOMWVGFLNQIL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H32O3SSi/c1-16(21-23(5,6)18(2,3)4)12-10-11-15-22(19,20)17-13-8-7-9-14-17/h7-9,13-14,16H,10-12,15H2,1-6H3/t16-/m1/s1.
What are the key properties of [(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane?
[(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 356.60 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101161742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).