(2-tert-butylsulfonylphenyl)-trimethylsilane

C13H22O2SSi — CID 546648

IUPAC(2-tert-butylsulfonylphenyl)-trimethylsilane
SMILESCC(C)(C)S(=O)(=O)c1ccccc1[Si](C)(C)C
InChIInChI=1S/C13H22O2SSi/c1-13(2,3)16(14,15)11-9-7-8-10-12(11)17(4,5)6/h7-10H,1-6H3
InChIKeyKOPIXLZPIUYYMN-UHFFFAOYSA-N
MW270.47 g/mol
LogP2.80
Rot. Bonds2

About (2-tert-butylsulfonylphenyl)-trimethylsilane

(2-tert-butylsulfonylphenyl)-trimethylsilane (PubChem CID 546648) has the molecular formula C13H22O2SSi and a molecular weight of 270.47 g/mol. Its IUPAC name is (2-tert-butylsulfonylphenyl)-trimethylsilane.

Molecular Properties

Compound Name(2-tert-butylsulfonylphenyl)-trimethylsilane
PubChem CID546648
Molecular FormulaC13H22O2SSi
Molecular Weight270.47 g/mol
Exact Mass270.11
IUPAC Name(2-tert-butylsulfonylphenyl)-trimethylsilane
SMILESCC(C)(C)S(=O)(=O)c1ccccc1[Si](C)(C)C
InChIInChI=1S/C13H22O2SSi/c1-13(2,3)16(14,15)11-9-7-8-10-12(11)17(4,5)6/h7-10H,1-6H3
InChIKeyKOPIXLZPIUYYMN-UHFFFAOYSA-N
XLogP2.80
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2-tert-butylsulfonylphenyl)-trimethylsilane?
The IUPAC name of (2-tert-butylsulfonylphenyl)-trimethylsilane (CID 546648) is (2-tert-butylsulfonylphenyl)-trimethylsilane.
What is the SMILES notation for (2-tert-butylsulfonylphenyl)-trimethylsilane?
The canonical SMILES for (2-tert-butylsulfonylphenyl)-trimethylsilane is CC(C)(C)S(=O)(=O)c1ccccc1[Si](C)(C)C.
What is the InChIKey of (2-tert-butylsulfonylphenyl)-trimethylsilane?
The InChIKey is KOPIXLZPIUYYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2SSi/c1-13(2,3)16(14,15)11-9-7-8-10-12(11)17(4,5)6/h7-10H,1-6H3.
What are the key properties of (2-tert-butylsulfonylphenyl)-trimethylsilane?
(2-tert-butylsulfonylphenyl)-trimethylsilane has a molecular weight of 270.47 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylsulfonylphenyl)-trimethylsilane is sourced from PubChem (CID 546648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).