[dimethyl(2-phenylethyl)silyl] benzenesulfonate

C16H20O3SSi — CID 87329787

IUPAC[dimethyl(2-phenylethyl)silyl] benzenesulfonate
SMILESC[Si](C)(CCc1ccccc1)OS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H20O3SSi/c1-21(2,14-13-15-9-5-3-6-10-15)19-20(17,18)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyCYONMKUUBZRORK-UHFFFAOYSA-N
MW320.49 g/mol
LogP3.84
Rot. Bonds6

About [dimethyl(2-phenylethyl)silyl] benzenesulfonate

[dimethyl(2-phenylethyl)silyl] benzenesulfonate (PubChem CID 87329787) has the molecular formula C16H20O3SSi and a molecular weight of 320.49 g/mol. Its IUPAC name is [dimethyl(2-phenylethyl)silyl] benzenesulfonate.

Molecular Properties

Compound Name[dimethyl(2-phenylethyl)silyl] benzenesulfonate
PubChem CID87329787
Molecular FormulaC16H20O3SSi
Molecular Weight320.49 g/mol
Exact Mass320.09
IUPAC Name[dimethyl(2-phenylethyl)silyl] benzenesulfonate
SMILESC[Si](C)(CCc1ccccc1)OS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H20O3SSi/c1-21(2,14-13-15-9-5-3-6-10-15)19-20(17,18)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyCYONMKUUBZRORK-UHFFFAOYSA-N
XLogP3.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[benzyl(dimethyl)silyl] 3,5-dimethylbenzenesulfonate
CID 21102862
dimethyl-(2-phenylethyl)-propan-2-yloxysilane
CID 58897732
[1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane
CID 10980970
trimethylsilylmethyl benzenesulfonate
CID 23238373
tris(2-methylpropyl)silyl benzenesulfonate
CID 21103001
2-[dimethyl(2-phenylethyl)silyl]oxyethanamine
CID 70546287
2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane
CID 90226834
3-trimethylsilylpropyl benzenesulfonate
CID 21102851
4-(benzenesulfonyloxy)hexan-3-yl benzenesulfonate
CID 89440686
[acetyloxy-methyl-(2-phenylethyl)silyl] acetate
CID 54139822
[2-(2-phenylethoxy)phenyl] benzenesulfonate
CID 91312372
2-[[[dimethyl(2-phenylethyl)silyl]amino]-dimethylsilyl]ethylbenzene
CID 12890431

Frequently Asked Questions

What is the IUPAC name of [dimethyl(2-phenylethyl)silyl] benzenesulfonate?
The IUPAC name of [dimethyl(2-phenylethyl)silyl] benzenesulfonate (CID 87329787) is [dimethyl(2-phenylethyl)silyl] benzenesulfonate.
What is the SMILES notation for [dimethyl(2-phenylethyl)silyl] benzenesulfonate?
The canonical SMILES for [dimethyl(2-phenylethyl)silyl] benzenesulfonate is C[Si](C)(CCc1ccccc1)OS(=O)(=O)c1ccccc1.
What is the InChIKey of [dimethyl(2-phenylethyl)silyl] benzenesulfonate?
The InChIKey is CYONMKUUBZRORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3SSi/c1-21(2,14-13-15-9-5-3-6-10-15)19-20(17,18)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of [dimethyl(2-phenylethyl)silyl] benzenesulfonate?
[dimethyl(2-phenylethyl)silyl] benzenesulfonate has a molecular weight of 320.49 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(2-phenylethyl)silyl] benzenesulfonate is sourced from PubChem (CID 87329787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).