3-trimethoxysilylpropyl hydrogen sulfate

C6H16O7SSi — CID 89396321

IUPAC3-trimethoxysilylpropyl hydrogen sulfate
SMILESCO[Si](CCCOS(=O)(=O)O)(OC)OC
InChIInChI=1S/C6H16O7SSi/c1-10-15(11-2,12-3)6-4-5-13-14(7,8)9/h4-6H2,1-3H3,(H,7,8,9)
InChIKeyVYSMMUFTJUBGKT-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.07
Rot. Bonds8

About 3-trimethoxysilylpropyl hydrogen sulfate

3-trimethoxysilylpropyl hydrogen sulfate (PubChem CID 89396321) has the molecular formula C6H16O7SSi and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-trimethoxysilylpropyl hydrogen sulfate.

Molecular Properties

Compound Name3-trimethoxysilylpropyl hydrogen sulfate
PubChem CID89396321
Molecular FormulaC6H16O7SSi
Molecular Weight260.34 g/mol
Exact Mass260.04
IUPAC Name3-trimethoxysilylpropyl hydrogen sulfate
SMILESCO[Si](CCCOS(=O)(=O)O)(OC)OC
InChIInChI=1S/C6H16O7SSi/c1-10-15(11-2,12-3)6-4-5-13-14(7,8)9/h4-6H2,1-3H3,(H,7,8,9)
InChIKeyVYSMMUFTJUBGKT-UHFFFAOYSA-N
XLogP0.07
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-trimethylsilylhexyl hydrogen sulfate
CID 54504627
butyl hydrogen sulfate;phosphane
CID 173112718
ethane-1,2-diol;3-sulfooxypropyl hydrogen sulfate
CID 129051064
decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
butyl hydrogen sulfate;heptane
CID 175360663
butyl hydrogen sulfate;hydrazine
CID 88762415
3-(3-methoxypropylamino)propyl hydrogen sulfate
CID 153323846
methane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid
CID 161452925
CID 87182380
CID 87182380
magnesium icosyl hydrogen sulfate
CID 21125099
alumane;octadecyl hydrogen sulfate
CID 175420064
Sodiumn-tridecylsulphate
CID 131877406

Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropyl hydrogen sulfate?
The IUPAC name of 3-trimethoxysilylpropyl hydrogen sulfate (CID 89396321) is 3-trimethoxysilylpropyl hydrogen sulfate.
What is the SMILES notation for 3-trimethoxysilylpropyl hydrogen sulfate?
The canonical SMILES for 3-trimethoxysilylpropyl hydrogen sulfate is CO[Si](CCCOS(=O)(=O)O)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropyl hydrogen sulfate?
The InChIKey is VYSMMUFTJUBGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O7SSi/c1-10-15(11-2,12-3)6-4-5-13-14(7,8)9/h4-6H2,1-3H3,(H,7,8,9).
What are the key properties of 3-trimethoxysilylpropyl hydrogen sulfate?
3-trimethoxysilylpropyl hydrogen sulfate has a molecular weight of 260.34 g/mol, XLogP of 0.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropyl hydrogen sulfate is sourced from PubChem (CID 89396321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).