[ethenyl(methyl)silyl]methyl butane-1-sulfonate

C8H18O3SSi — CID 165062308

IUPAC[ethenyl(methyl)silyl]methyl butane-1-sulfonate
SMILESC=C[SiH](C)COS(=O)(=O)CCCC
InChIInChI=1S/C8H18O3SSi/c1-4-6-7-12(9,10)11-8-13(3)5-2/h5,13H,2,4,6-8H2,1,3H3
InChIKeyXDJKRRRAAPSFHI-UHFFFAOYSA-N
MW222.38 g/mol
LogP1.25
Rot. Bonds7

About [ethenyl(methyl)silyl]methyl butane-1-sulfonate

[ethenyl(methyl)silyl]methyl butane-1-sulfonate (PubChem CID 165062308) has the molecular formula C8H18O3SSi and a molecular weight of 222.38 g/mol. Its IUPAC name is [ethenyl(methyl)silyl]methyl butane-1-sulfonate.

Molecular Properties

Compound Name[ethenyl(methyl)silyl]methyl butane-1-sulfonate
PubChem CID165062308
Molecular FormulaC8H18O3SSi
Molecular Weight222.38 g/mol
Exact Mass222.07
IUPAC Name[ethenyl(methyl)silyl]methyl butane-1-sulfonate
SMILESC=C[SiH](C)COS(=O)(=O)CCCC
InChIInChI=1S/C8H18O3SSi/c1-4-6-7-12(9,10)11-8-13(3)5-2/h5,13H,2,4,6-8H2,1,3H3
InChIKeyXDJKRRRAAPSFHI-UHFFFAOYSA-N
XLogP1.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [ethenyl(methyl)silyl]methyl butane-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[ethenyl(methyl)silyl]methyl methyl sulfate
CID 165062299
4-butylsulfonyloxybut-2-enyl butane-1-sulfonate
CID 134583948
propyl butane-1-sulfonate
CID 12843900
ethyl dodecane-1-sulfonate
CID 91372072
butyl pentane-1-sulfonate
CID 87956203
ethyl decane-1-sulfonate
CID 22672297
ethyl nonane-1-sulfonate
CID 152681372
ethenyl hexadecane-1-sulfonate
CID 175557286
3-(prop-2-enoylamino)propyl butane-1-sulfonate
CID 175208594
hexadecyl octane-1-sulfonate
CID 172859291
tridecyl tridecane-1-sulfonate
CID 123645713
azane;ethyl hexane-1-sulfonate
CID 174617270

Frequently Asked Questions

What is the IUPAC name of [ethenyl(methyl)silyl]methyl butane-1-sulfonate?
The IUPAC name of [ethenyl(methyl)silyl]methyl butane-1-sulfonate (CID 165062308) is [ethenyl(methyl)silyl]methyl butane-1-sulfonate.
What is the SMILES notation for [ethenyl(methyl)silyl]methyl butane-1-sulfonate?
The canonical SMILES for [ethenyl(methyl)silyl]methyl butane-1-sulfonate is C=C[SiH](C)COS(=O)(=O)CCCC.
What is the InChIKey of [ethenyl(methyl)silyl]methyl butane-1-sulfonate?
The InChIKey is XDJKRRRAAPSFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3SSi/c1-4-6-7-12(9,10)11-8-13(3)5-2/h5,13H,2,4,6-8H2,1,3H3.
What are the key properties of [ethenyl(methyl)silyl]methyl butane-1-sulfonate?
[ethenyl(methyl)silyl]methyl butane-1-sulfonate has a molecular weight of 222.38 g/mol, XLogP of 1.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethenyl(methyl)silyl]methyl butane-1-sulfonate is sourced from PubChem (CID 165062308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).