[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane

C20H36O5SSi — CID 134878980

IUPAC[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane
SMILESCOCO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H36O5SSi/c1-17(13-14-26(21,22)18-11-9-8-10-12-18)19(24-16-23-5)15-25-27(6,7)20(2,3)4/h8-12,17,19H,13-16H2,1-7H3/t17-,19+/m0/s1
InChIKeyICXZOMQBFGROTG-PKOBYXMFSA-N
MW416.66 g/mol
LogP4.50
Rot. Bonds11

About [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane

[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane (PubChem CID 134878980) has the molecular formula C20H36O5SSi and a molecular weight of 416.66 g/mol. Its IUPAC name is [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane
PubChem CID134878980
Molecular FormulaC20H36O5SSi
Molecular Weight416.66 g/mol
Exact Mass416.21
IUPAC Name[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane
SMILESCOCO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H36O5SSi/c1-17(13-14-26(21,22)18-11-9-8-10-12-18)19(24-16-23-5)15-25-27(6,7)20(2,3)4/h8-12,17,19H,13-16H2,1-7H3/t17-,19+/m0/s1
InChIKeyICXZOMQBFGROTG-PKOBYXMFSA-N
XLogP4.50
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.66
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,6E)-5-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-3-ol
CID 14704706
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
CID 11782846
[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene
CID 10425254
4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
CID 10762622
[(2S,3S,6S)-1-(benzenesulfonyl)-2,6-dimethyloct-7-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 11004146
[(3S)-3-[(4S,5R,6R)-6-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-methoxyprop-1-ynyl]-tert-butyl-dimethylsilane
CID 11103057
(R)-4-(tert-Butyldimethylsilyloxy)-3-methylbutyl pheny sulfone
CID 11267890
(4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 11832967
[1-(Benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane
CID 12842285
[(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane
CID 14240060
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane
CID 15935895
[(E)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene
CID 15935897

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane (CID 134878980) is [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane is COCO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane?
The InChIKey is ICXZOMQBFGROTG-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H36O5SSi/c1-17(13-14-26(21,22)18-11-9-8-10-12-18)19(24-16-23-5)15-25-27(6,7)20(2,3)4/h8-12,17,19H,13-16H2,1-7H3/t17-,19+/m0/s1.
What are the key properties of [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane?
[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane has a molecular weight of 416.66 g/mol, XLogP of 4.50, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 134878980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).