[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-dimethylsilane

C16H28O3SSi — CID 11142051

IUPAC[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-dimethylsilane
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H28O3SSi/c1-14(12-19-21(5,6)16(2,3)4)13-20(17,18)15-10-8-7-9-11-15/h7-11,14H,12-13H2,1-6H3/t14-/m1/s1
InChIKeyHGTCUWCQIIQFJT-CQSZACIVSA-N
MW328.55 g/mol
LogP4.12
Rot. Bonds6

About [(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-dimethylsilane

[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-dimethylsilane (PubChem CID 11142051) has the molecular formula C16H28O3SSi and a molecular weight of 328.55 g/mol. Its IUPAC name is [(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-dimethylsilane
PubChem CID11142051
Molecular FormulaC16H28O3SSi
Molecular Weight328.55 g/mol
Exact Mass328.15
IUPAC Name[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-dimethylsilane
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H28O3SSi/c1-14(12-19-21(5,6)16(2,3)4)13-20(17,18)15-10-8-7-9-11-15/h7-11,14H,12-13H2,1-6H3/t14-/m1/s1
InChIKeyHGTCUWCQIIQFJT-CQSZACIVSA-N
XLogP4.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.55
LogP ≤ 54.12
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)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-dimethylsilane (CID 11142051) is [(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-dimethylsilane is C[C@H](CO[Si](C)(C)C(C)(C)C)CS(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-dimethylsilane?
The InChIKey is HGTCUWCQIIQFJT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H28O3SSi/c1-14(12-19-21(5,6)16(2,3)4)13-20(17,18)15-10-8-7-9-11-15/h7-11,14H,12-13H2,1-6H3/t14-/m1/s1.
What are the key properties of [(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-dimethylsilane?
[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-dimethylsilane has a molecular weight of 328.55 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11142051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).