[ethenyl(methyl)silyl]methyl methyl sulfate

C5H12O4SSi — CID 165062299

IUPAC[ethenyl(methyl)silyl]methyl methyl sulfate
SMILESC=C[SiH](C)COS(=O)(=O)OC
InChIInChI=1S/C5H12O4SSi/c1-4-11(3)5-9-10(6,7)8-2/h4,11H,1,5H2,2-3H3
InChIKeyRTHZIVYTXGTDGF-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.02
Rot. Bonds5

About [ethenyl(methyl)silyl]methyl methyl sulfate

[ethenyl(methyl)silyl]methyl methyl sulfate (PubChem CID 165062299) has the molecular formula C5H12O4SSi and a molecular weight of 196.30 g/mol. Its IUPAC name is [ethenyl(methyl)silyl]methyl methyl sulfate.

Molecular Properties

Compound Name[ethenyl(methyl)silyl]methyl methyl sulfate
PubChem CID165062299
Molecular FormulaC5H12O4SSi
Molecular Weight196.30 g/mol
Exact Mass196.02
IUPAC Name[ethenyl(methyl)silyl]methyl methyl sulfate
SMILESC=C[SiH](C)COS(=O)(=O)OC
InChIInChI=1S/C5H12O4SSi/c1-4-11(3)5-9-10(6,7)8-2/h4,11H,1,5H2,2-3H3
InChIKeyRTHZIVYTXGTDGF-UHFFFAOYSA-N
XLogP0.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[ethenyl(methyl)silyl]methyl propane-2-sulfonate
CID 165062305
[ethenyl(methyl)silyl]methyl butane-1-sulfonate
CID 165062308
methyl 3-oxopropyl sulfate
CID 54346494
3-hydroxypropyl methyl sulfate
CID 54367099
azane;methyl prop-2-enyl sulfate;toluene
CID 88614516
methyl 2-sulfanylethyl sulfate
CID 58758404
CID 86609602
CID 86609602
hepta-1,6-dien-4-yl methyl sulfate
CID 141147379
azane;2-hydroxyethyl methyl sulfate
CID 87122976
methyl pent-4-en-2-yl sulfate
CID 174246780
2-methoxysulfonyloxyethyl(trimethyl)azanium
CID 57352198
potassium;dimethyl sulfate;hydroxide
CID 88595452

Frequently Asked Questions

What is the IUPAC name of [ethenyl(methyl)silyl]methyl methyl sulfate?
The IUPAC name of [ethenyl(methyl)silyl]methyl methyl sulfate (CID 165062299) is [ethenyl(methyl)silyl]methyl methyl sulfate.
What is the SMILES notation for [ethenyl(methyl)silyl]methyl methyl sulfate?
The canonical SMILES for [ethenyl(methyl)silyl]methyl methyl sulfate is C=C[SiH](C)COS(=O)(=O)OC.
What is the InChIKey of [ethenyl(methyl)silyl]methyl methyl sulfate?
The InChIKey is RTHZIVYTXGTDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4SSi/c1-4-11(3)5-9-10(6,7)8-2/h4,11H,1,5H2,2-3H3.
What are the key properties of [ethenyl(methyl)silyl]methyl methyl sulfate?
[ethenyl(methyl)silyl]methyl methyl sulfate has a molecular weight of 196.30 g/mol, XLogP of 0.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethenyl(methyl)silyl]methyl methyl sulfate is sourced from PubChem (CID 165062299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).