[(2R)-1-(benzenesulfonyl)-3-ethyl-2-methylpentan-3-yl]oxy-trimethylsilane

C17H30O3SSi — CID 139609427

IUPAC[(2R)-1-(benzenesulfonyl)-3-ethyl-2-methylpentan-3-yl]oxy-trimethylsilane
SMILESCCC(CC)(O[Si](C)(C)C)[C@@H](C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H30O3SSi/c1-7-17(8-2,20-22(4,5)6)15(3)14-21(18,19)16-12-10-9-11-13-16/h9-13,15H,7-8,14H2,1-6H3/t15-/m0/s1
InChIKeyMJYAUBHCTIBTAA-HNNXBMFYSA-N
MW342.58 g/mol
LogP4.51
Rot. Bonds8

About [(2R)-1-(benzenesulfonyl)-3-ethyl-2-methylpentan-3-yl]oxy-trimethylsilane

[(2R)-1-(benzenesulfonyl)-3-ethyl-2-methylpentan-3-yl]oxy-trimethylsilane (PubChem CID 139609427) has the molecular formula C17H30O3SSi and a molecular weight of 342.58 g/mol. Its IUPAC name is [(2R)-1-(benzenesulfonyl)-3-ethyl-2-methylpentan-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2R)-1-(benzenesulfonyl)-3-ethyl-2-methylpentan-3-yl]oxy-trimethylsilane
PubChem CID139609427
Molecular FormulaC17H30O3SSi
Molecular Weight342.58 g/mol
Exact Mass342.17
IUPAC Name[(2R)-1-(benzenesulfonyl)-3-ethyl-2-methylpentan-3-yl]oxy-trimethylsilane
SMILESCCC(CC)(O[Si](C)(C)C)[C@@H](C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H30O3SSi/c1-7-17(8-2,20-22(4,5)6)15(3)14-21(18,19)16-12-10-9-11-13-16/h9-13,15H,7-8,14H2,1-6H3/t15-/m0/s1
InChIKeyMJYAUBHCTIBTAA-HNNXBMFYSA-N
XLogP4.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(benzenesulfonyl)-3-ethyl-2-methylpentan-3-yl]oxy-trimethylsilane?
The IUPAC name of [(2R)-1-(benzenesulfonyl)-3-ethyl-2-methylpentan-3-yl]oxy-trimethylsilane (CID 139609427) is [(2R)-1-(benzenesulfonyl)-3-ethyl-2-methylpentan-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2R)-1-(benzenesulfonyl)-3-ethyl-2-methylpentan-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(2R)-1-(benzenesulfonyl)-3-ethyl-2-methylpentan-3-yl]oxy-trimethylsilane is CCC(CC)(O[Si](C)(C)C)[C@@H](C)CS(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R)-1-(benzenesulfonyl)-3-ethyl-2-methylpentan-3-yl]oxy-trimethylsilane?
The InChIKey is MJYAUBHCTIBTAA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30O3SSi/c1-7-17(8-2,20-22(4,5)6)15(3)14-21(18,19)16-12-10-9-11-13-16/h9-13,15H,7-8,14H2,1-6H3/t15-/m0/s1.
What are the key properties of [(2R)-1-(benzenesulfonyl)-3-ethyl-2-methylpentan-3-yl]oxy-trimethylsilane?
[(2R)-1-(benzenesulfonyl)-3-ethyl-2-methylpentan-3-yl]oxy-trimethylsilane has a molecular weight of 342.58 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(benzenesulfonyl)-3-ethyl-2-methylpentan-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 139609427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).