[(4R)-6-(benzenesulfonyl)-4-methylhexoxy]-tert-butyl-dimethylsilane

C19H34O3SSi — CID 11100736

IUPAC[(4R)-6-(benzenesulfonyl)-4-methylhexoxy]-tert-butyl-dimethylsilane
SMILESC[C@H](CCCO[Si](C)(C)C(C)(C)C)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H34O3SSi/c1-17(11-10-15-22-24(5,6)19(2,3)4)14-16-23(20,21)18-12-8-7-9-13-18/h7-9,12-13,17H,10-11,14-16H2,1-6H3/t17-/m1/s1
InChIKeyUJBGYUPTXNOJNC-QGZVFWFLSA-N
MW370.63 g/mol
LogP5.29
Rot. Bonds9

About [(4R)-6-(benzenesulfonyl)-4-methylhexoxy]-tert-butyl-dimethylsilane

[(4R)-6-(benzenesulfonyl)-4-methylhexoxy]-tert-butyl-dimethylsilane (PubChem CID 11100736) has the molecular formula C19H34O3SSi and a molecular weight of 370.63 g/mol. Its IUPAC name is [(4R)-6-(benzenesulfonyl)-4-methylhexoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4R)-6-(benzenesulfonyl)-4-methylhexoxy]-tert-butyl-dimethylsilane
PubChem CID11100736
Molecular FormulaC19H34O3SSi
Molecular Weight370.63 g/mol
Exact Mass370.20
IUPAC Name[(4R)-6-(benzenesulfonyl)-4-methylhexoxy]-tert-butyl-dimethylsilane
SMILESC[C@H](CCCO[Si](C)(C)C(C)(C)C)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H34O3SSi/c1-17(11-10-15-22-24(5,6)19(2,3)4)14-16-23(20,21)18-12-8-7-9-13-18/h7-9,12-13,17H,10-11,14-16H2,1-6H3/t17-/m1/s1
InChIKeyUJBGYUPTXNOJNC-QGZVFWFLSA-N
XLogP5.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.63
LogP ≤ 55.29
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

[(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-(Benzenesulfonyl)propyl-triethoxysilane
CID 90226898
Tert-butyl-dimethyl-[3-[1-[3-(trifluoromethyl)phenyl]sulfonylethyl]cyclobutyl]oxysilane
CID 68353522
[6-(Benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane
CID 14101984
[1-[2-(Benzenesulfonyl)ethyl]cyclopentyl]oxy-triethylsilane
CID 14102001
tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
CID 10380832
5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane
CID 10548912

Frequently Asked Questions

What is the IUPAC name of [(4R)-6-(benzenesulfonyl)-4-methylhexoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(4R)-6-(benzenesulfonyl)-4-methylhexoxy]-tert-butyl-dimethylsilane (CID 11100736) is [(4R)-6-(benzenesulfonyl)-4-methylhexoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4R)-6-(benzenesulfonyl)-4-methylhexoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(4R)-6-(benzenesulfonyl)-4-methylhexoxy]-tert-butyl-dimethylsilane is C[C@H](CCCO[Si](C)(C)C(C)(C)C)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of [(4R)-6-(benzenesulfonyl)-4-methylhexoxy]-tert-butyl-dimethylsilane?
The InChIKey is UJBGYUPTXNOJNC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H34O3SSi/c1-17(11-10-15-22-24(5,6)19(2,3)4)14-16-23(20,21)18-12-8-7-9-13-18/h7-9,12-13,17H,10-11,14-16H2,1-6H3/t17-/m1/s1.
What are the key properties of [(4R)-6-(benzenesulfonyl)-4-methylhexoxy]-tert-butyl-dimethylsilane?
[(4R)-6-(benzenesulfonyl)-4-methylhexoxy]-tert-butyl-dimethylsilane has a molecular weight of 370.63 g/mol, XLogP of 5.29, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-6-(benzenesulfonyl)-4-methylhexoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11100736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).