3-[dimethyl(propyl)silyl]oxy-3-oxopropane-1-sulfonic acid

C8H18O5SSi — CID 90958516

IUPAC3-[dimethyl(propyl)silyl]oxy-3-oxopropane-1-sulfonic acid
SMILESCCC[Si](C)(C)OC(=O)CCS(=O)(=O)O
InChIInChI=1S/C8H18O5SSi/c1-4-7-15(2,3)13-8(9)5-6-14(10,11)12/h4-7H2,1-3H3,(H,10,11,12)
InChIKeyDMABIGZNFDCWMG-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.42
Rot. Bonds6

About 3-[dimethyl(propyl)silyl]oxy-3-oxopropane-1-sulfonic acid

3-[dimethyl(propyl)silyl]oxy-3-oxopropane-1-sulfonic acid (PubChem CID 90958516) has the molecular formula C8H18O5SSi and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-[dimethyl(propyl)silyl]oxy-3-oxopropane-1-sulfonic acid.

Molecular Properties

Compound Name3-[dimethyl(propyl)silyl]oxy-3-oxopropane-1-sulfonic acid
PubChem CID90958516
Molecular FormulaC8H18O5SSi
Molecular Weight254.38 g/mol
Exact Mass254.06
IUPAC Name3-[dimethyl(propyl)silyl]oxy-3-oxopropane-1-sulfonic acid
SMILESCCC[Si](C)(C)OC(=O)CCS(=O)(=O)O
InChIInChI=1S/C8H18O5SSi/c1-4-7-15(2,3)13-8(9)5-6-14(10,11)12/h4-7H2,1-3H3,(H,10,11,12)
InChIKeyDMABIGZNFDCWMG-UHFFFAOYSA-N
XLogP1.42
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
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

[dimethyl(propyl)silyl] 3-chloropropanoate
CID 141075999
[hexyl(dimethyl)silyl] octadecanoate
CID 175031118
[chloromethyl(dimethyl)silyl] butanoate
CID 554702
oxirane;propane-1-sulfonic acid
CID 161099007
tripropylsilyl 4-hydroxybutanoate
CID 87706065
CID 172745867
CID 172745867
[dimethyl(methylaminomethyl)silyl] butanoate
CID 150498480
[3-cyanopropyl(dimethyl)silyl] undecanoate
CID 91712847
methyl 3-ethylsulfonylpropanoate
CID 19377555
tripropylsilyl propanoate
CID 604402
CID 121393600
CID 121393600
ethane;pentakis(propane-1-sulfonic acid)
CID 158893831

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(propyl)silyl]oxy-3-oxopropane-1-sulfonic acid?
The IUPAC name of 3-[dimethyl(propyl)silyl]oxy-3-oxopropane-1-sulfonic acid (CID 90958516) is 3-[dimethyl(propyl)silyl]oxy-3-oxopropane-1-sulfonic acid.
What is the SMILES notation for 3-[dimethyl(propyl)silyl]oxy-3-oxopropane-1-sulfonic acid?
The canonical SMILES for 3-[dimethyl(propyl)silyl]oxy-3-oxopropane-1-sulfonic acid is CCC[Si](C)(C)OC(=O)CCS(=O)(=O)O.
What is the InChIKey of 3-[dimethyl(propyl)silyl]oxy-3-oxopropane-1-sulfonic acid?
The InChIKey is DMABIGZNFDCWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5SSi/c1-4-7-15(2,3)13-8(9)5-6-14(10,11)12/h4-7H2,1-3H3,(H,10,11,12).
What are the key properties of 3-[dimethyl(propyl)silyl]oxy-3-oxopropane-1-sulfonic acid?
3-[dimethyl(propyl)silyl]oxy-3-oxopropane-1-sulfonic acid has a molecular weight of 254.38 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(propyl)silyl]oxy-3-oxopropane-1-sulfonic acid is sourced from PubChem (CID 90958516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).