2-(benzenesulfonyl)ethyl-trimethylsilane

C11H18O2SSi — CID 2724975

IUPAC2-(benzenesulfonyl)ethyl-trimethylsilane
SMILESC[Si](C)(C)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H18O2SSi/c1-15(2,3)10-9-14(12,13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyIVPQHMQOYMNETK-UHFFFAOYSA-N
MW242.42 g/mol
LogP2.80
Rot. Bonds4

About 2-(benzenesulfonyl)ethyl-trimethylsilane

2-(benzenesulfonyl)ethyl-trimethylsilane (PubChem CID 2724975) has the molecular formula C11H18O2SSi and a molecular weight of 242.42 g/mol. Its IUPAC name is 2-(benzenesulfonyl)ethyl-trimethylsilane.

Molecular Properties

Compound Name2-(benzenesulfonyl)ethyl-trimethylsilane
PubChem CID2724975
Molecular FormulaC11H18O2SSi
Molecular Weight242.42 g/mol
Exact Mass242.08
IUPAC Name2-(benzenesulfonyl)ethyl-trimethylsilane
SMILESC[Si](C)(C)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H18O2SSi/c1-15(2,3)10-9-14(12,13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyIVPQHMQOYMNETK-UHFFFAOYSA-N
XLogP2.80
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.42
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-(benzenesulfonyl)ethyl-trimethylsilane?
The IUPAC name of 2-(benzenesulfonyl)ethyl-trimethylsilane (CID 2724975) is 2-(benzenesulfonyl)ethyl-trimethylsilane.
What is the SMILES notation for 2-(benzenesulfonyl)ethyl-trimethylsilane?
The canonical SMILES for 2-(benzenesulfonyl)ethyl-trimethylsilane is C[Si](C)(C)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)ethyl-trimethylsilane?
The InChIKey is IVPQHMQOYMNETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2SSi/c1-15(2,3)10-9-14(12,13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of 2-(benzenesulfonyl)ethyl-trimethylsilane?
2-(benzenesulfonyl)ethyl-trimethylsilane has a molecular weight of 242.42 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)ethyl-trimethylsilane is sourced from PubChem (CID 2724975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).