2-trimethylsilyloxysulfonylethanesulfonic acid

C5H14O6S2Si — CID 87764518

IUPAC2-trimethylsilyloxysulfonylethanesulfonic acid
SMILESC[Si](C)(C)OS(=O)(=O)CCS(=O)(=O)O
InChIInChI=1S/C5H14O6S2Si/c1-14(2,3)11-13(9,10)5-4-12(6,7)8/h4-5H2,1-3H3,(H,6,7,8)
InChIKeyHPACOOJOLWYFNJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP0.06
Rot. Bonds5

About 2-trimethylsilyloxysulfonylethanesulfonic acid

2-trimethylsilyloxysulfonylethanesulfonic acid (PubChem CID 87764518) has the molecular formula C5H14O6S2Si and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-trimethylsilyloxysulfonylethanesulfonic acid.

Molecular Properties

Compound Name2-trimethylsilyloxysulfonylethanesulfonic acid
PubChem CID87764518
Molecular FormulaC5H14O6S2Si
Molecular Weight262.38 g/mol
Exact Mass262.00
IUPAC Name2-trimethylsilyloxysulfonylethanesulfonic acid
SMILESC[Si](C)(C)OS(=O)(=O)CCS(=O)(=O)O
InChIInChI=1S/C5H14O6S2Si/c1-14(2,3)11-13(9,10)5-4-12(6,7)8/h4-5H2,1-3H3,(H,6,7,8)
InChIKeyHPACOOJOLWYFNJ-UHFFFAOYSA-N
XLogP0.06
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;trimethylsilyl propane-1-sulfonate
CID 173422421
2-(2-sulfoethylsulfonyloxysulfonyl)ethanesulfonic acid
CID 87128284
trimethylsilyl 3-bromopropane-1-sulfonate
CID 554689
2-acetyloxysulfonylethanesulfonic acid
CID 174889510
ethane-1,2-disulfonic acid;methane
CID 161397392
calcium;ethane-1,2-disulfonic acid;hydride
CID 173073207
2-(2,3-dimethylbutan-2-yloxysulfonyl)ethanesulfonic acid
CID 90415242
4-ethoxysulfonylbutane-1-sulfonic acid
CID 123377726
2-(2-methylcyclohexyl)oxysulfonylethanesulfonic acid
CID 151045812
CID 121393600
CID 121393600
ethane;pentakis(propane-1-sulfonic acid)
CID 158893831
3-ethylsulfonyloxypropane-1-sulfonic acid
CID 123376952

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilyloxysulfonylethanesulfonic acid?
The IUPAC name of 2-trimethylsilyloxysulfonylethanesulfonic acid (CID 87764518) is 2-trimethylsilyloxysulfonylethanesulfonic acid.
What is the SMILES notation for 2-trimethylsilyloxysulfonylethanesulfonic acid?
The canonical SMILES for 2-trimethylsilyloxysulfonylethanesulfonic acid is C[Si](C)(C)OS(=O)(=O)CCS(=O)(=O)O.
What is the InChIKey of 2-trimethylsilyloxysulfonylethanesulfonic acid?
The InChIKey is HPACOOJOLWYFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O6S2Si/c1-14(2,3)11-13(9,10)5-4-12(6,7)8/h4-5H2,1-3H3,(H,6,7,8).
What are the key properties of 2-trimethylsilyloxysulfonylethanesulfonic acid?
2-trimethylsilyloxysulfonylethanesulfonic acid has a molecular weight of 262.38 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxysulfonylethanesulfonic acid is sourced from PubChem (CID 87764518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).