[(2R)-2-[4-(benzenesulfonyl)butoxymethoxy]propoxy]-tert-butyl-dimethylsilane

C20H36O5SSi — CID 140958354

IUPAC[(2R)-2-[4-(benzenesulfonyl)butoxymethoxy]propoxy]-tert-butyl-dimethylsilane
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)OCOCCCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H36O5SSi/c1-18(16-25-27(5,6)20(2,3)4)24-17-23-14-10-11-15-26(21,22)19-12-8-7-9-13-19/h7-9,12-13,18H,10-11,14-17H2,1-6H3/t18-/m1/s1
InChIKeyGJAGTRAXBQCEJK-GOSISDBHSA-N
MW416.66 g/mol
LogP4.64
Rot. Bonds12

About [(2R)-2-[4-(benzenesulfonyl)butoxymethoxy]propoxy]-tert-butyl-dimethylsilane

[(2R)-2-[4-(benzenesulfonyl)butoxymethoxy]propoxy]-tert-butyl-dimethylsilane (PubChem CID 140958354) has the molecular formula C20H36O5SSi and a molecular weight of 416.66 g/mol. Its IUPAC name is [(2R)-2-[4-(benzenesulfonyl)butoxymethoxy]propoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R)-2-[4-(benzenesulfonyl)butoxymethoxy]propoxy]-tert-butyl-dimethylsilane
PubChem CID140958354
Molecular FormulaC20H36O5SSi
Molecular Weight416.66 g/mol
Exact Mass416.21
IUPAC Name[(2R)-2-[4-(benzenesulfonyl)butoxymethoxy]propoxy]-tert-butyl-dimethylsilane
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)OCOCCCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H36O5SSi/c1-18(16-25-27(5,6)20(2,3)4)24-17-23-14-10-11-15-26(21,22)19-12-8-7-9-13-19/h7-9,12-13,18H,10-11,14-17H2,1-6H3/t18-/m1/s1
InChIKeyGJAGTRAXBQCEJK-GOSISDBHSA-N
XLogP4.64
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.66
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[4-(benzenesulfonyl)butoxymethoxy]propoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2R)-2-[4-(benzenesulfonyl)butoxymethoxy]propoxy]-tert-butyl-dimethylsilane (CID 140958354) is [(2R)-2-[4-(benzenesulfonyl)butoxymethoxy]propoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R)-2-[4-(benzenesulfonyl)butoxymethoxy]propoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R)-2-[4-(benzenesulfonyl)butoxymethoxy]propoxy]-tert-butyl-dimethylsilane is C[C@H](CO[Si](C)(C)C(C)(C)C)OCOCCCCS(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R)-2-[4-(benzenesulfonyl)butoxymethoxy]propoxy]-tert-butyl-dimethylsilane?
The InChIKey is GJAGTRAXBQCEJK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H36O5SSi/c1-18(16-25-27(5,6)20(2,3)4)24-17-23-14-10-11-15-26(21,22)19-12-8-7-9-13-19/h7-9,12-13,18H,10-11,14-17H2,1-6H3/t18-/m1/s1.
What are the key properties of [(2R)-2-[4-(benzenesulfonyl)butoxymethoxy]propoxy]-tert-butyl-dimethylsilane?
[(2R)-2-[4-(benzenesulfonyl)butoxymethoxy]propoxy]-tert-butyl-dimethylsilane has a molecular weight of 416.66 g/mol, XLogP of 4.64, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[4-(benzenesulfonyl)butoxymethoxy]propoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 140958354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).