trimethylsilylmethanedisulfonic acid

C4H12O6S2Si — CID 174559999

IUPACtrimethylsilylmethanedisulfonic acid
SMILESC[Si](C)(C)C(S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C4H12O6S2Si/c1-13(2,3)4(11(5,6)7)12(8,9)10/h4H,1-3H3,(H,5,6,7)(H,8,9,10)
InChIKeyVLYFONSIKSFTAQ-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.03
Rot. Bonds3

About trimethylsilylmethanedisulfonic acid

trimethylsilylmethanedisulfonic acid (PubChem CID 174559999) has the molecular formula C4H12O6S2Si and a molecular weight of 248.35 g/mol. Its IUPAC name is trimethylsilylmethanedisulfonic acid.

Molecular Properties

Compound Nametrimethylsilylmethanedisulfonic acid
PubChem CID174559999
Molecular FormulaC4H12O6S2Si
Molecular Weight248.35 g/mol
Exact Mass247.98
IUPAC Nametrimethylsilylmethanedisulfonic acid
SMILESC[Si](C)(C)C(S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C4H12O6S2Si/c1-13(2,3)4(11(5,6)7)12(8,9)10/h4H,1-3H3,(H,5,6,7)(H,8,9,10)
InChIKeyVLYFONSIKSFTAQ-UHFFFAOYSA-N
XLogP-0.03
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

sulfuric acid;tetramethylphosphanium
CID 87132357
sodium propane-2-sulfonic acid
CID 23363435
2-deuteriopropane-2-sulfonic acid
CID 172728862
1-chloro-3-trimethylsilylpropane-1-sulfonic acid
CID 87772921
dihydroxy-oxo-tellanylidene-λ6-sulfane
CID 175890496
methanol;sulfuric acid
CID 174902694
ethane;sulfuric acid
CID 174865721
CID 131884696
CID 131884696
methanesulfonic acid;methanetriol
CID 174918384
1-trimethylsilylprop-2-ynyl hydrogen sulfate
CID 155670240
azane;2,3-disulfobutanedioic acid
CID 88831180
(1R)-1-[[(1R)-1-sulfoethyl]-[(1S)-1-sulfoethyl]amino]ethanesulfonic acid
CID 92855665

Frequently Asked Questions

What is the IUPAC name of trimethylsilylmethanedisulfonic acid?
The IUPAC name of trimethylsilylmethanedisulfonic acid (CID 174559999) is trimethylsilylmethanedisulfonic acid.
What is the SMILES notation for trimethylsilylmethanedisulfonic acid?
The canonical SMILES for trimethylsilylmethanedisulfonic acid is C[Si](C)(C)C(S(=O)(=O)O)S(=O)(=O)O.
What is the InChIKey of trimethylsilylmethanedisulfonic acid?
The InChIKey is VLYFONSIKSFTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O6S2Si/c1-13(2,3)4(11(5,6)7)12(8,9)10/h4H,1-3H3,(H,5,6,7)(H,8,9,10).
What are the key properties of trimethylsilylmethanedisulfonic acid?
trimethylsilylmethanedisulfonic acid has a molecular weight of 248.35 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilylmethanedisulfonic acid is sourced from PubChem (CID 174559999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).