2-[ethyl(dimethyl)silyl]-4-methylbenzenesulfonic acid

C11H18O3SSi — CID 87329485

IUPAC2-[ethyl(dimethyl)silyl]-4-methylbenzenesulfonic acid
SMILESCC[Si](C)(C)c1cc(C)ccc1S(=O)(=O)O
InChIInChI=1S/C11H18O3SSi/c1-5-16(3,4)11-8-9(2)6-7-10(11)15(12,13)14/h6-8H,5H2,1-4H3,(H,12,13,14)
InChIKeyCWMGOJSIXLXBKO-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.18
Rot. Bonds3

About 2-[ethyl(dimethyl)silyl]-4-methylbenzenesulfonic acid

2-[ethyl(dimethyl)silyl]-4-methylbenzenesulfonic acid (PubChem CID 87329485) has the molecular formula C11H18O3SSi and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[ethyl(dimethyl)silyl]-4-methylbenzenesulfonic acid.

Molecular Properties

Compound Name2-[ethyl(dimethyl)silyl]-4-methylbenzenesulfonic acid
PubChem CID87329485
Molecular FormulaC11H18O3SSi
Molecular Weight258.41 g/mol
Exact Mass258.07
IUPAC Name2-[ethyl(dimethyl)silyl]-4-methylbenzenesulfonic acid
SMILESCC[Si](C)(C)c1cc(C)ccc1S(=O)(=O)O
InChIInChI=1S/C11H18O3SSi/c1-5-16(3,4)11-8-9(2)6-7-10(11)15(12,13)14/h6-8H,5H2,1-4H3,(H,12,13,14)
InChIKeyCWMGOJSIXLXBKO-UHFFFAOYSA-N
XLogP2.18
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(dimethyl)silyl]-4-methylbenzenesulfonic acid?
The IUPAC name of 2-[ethyl(dimethyl)silyl]-4-methylbenzenesulfonic acid (CID 87329485) is 2-[ethyl(dimethyl)silyl]-4-methylbenzenesulfonic acid.
What is the SMILES notation for 2-[ethyl(dimethyl)silyl]-4-methylbenzenesulfonic acid?
The canonical SMILES for 2-[ethyl(dimethyl)silyl]-4-methylbenzenesulfonic acid is CC[Si](C)(C)c1cc(C)ccc1S(=O)(=O)O.
What is the InChIKey of 2-[ethyl(dimethyl)silyl]-4-methylbenzenesulfonic acid?
The InChIKey is CWMGOJSIXLXBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3SSi/c1-5-16(3,4)11-8-9(2)6-7-10(11)15(12,13)14/h6-8H,5H2,1-4H3,(H,12,13,14).
What are the key properties of 2-[ethyl(dimethyl)silyl]-4-methylbenzenesulfonic acid?
2-[ethyl(dimethyl)silyl]-4-methylbenzenesulfonic acid has a molecular weight of 258.41 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(dimethyl)silyl]-4-methylbenzenesulfonic acid is sourced from PubChem (CID 87329485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).