triethylsilyl 4-ethylbenzenesulfonate

C14H24O3SSi — CID 22104928

IUPACtriethylsilyl 4-ethylbenzenesulfonate
SMILESCCc1ccc(S(=O)(=O)O[Si](CC)(CC)CC)cc1
InChIInChI=1S/C14H24O3SSi/c1-5-13-9-11-14(12-10-13)18(15,16)17-19(6-2,7-3)8-4/h9-12H,5-8H2,1-4H3
InChIKeyYTLOPZXFLJBTSL-UHFFFAOYSA-N
MW300.50 g/mol
LogP3.96
Rot. Bonds7

About triethylsilyl 4-ethylbenzenesulfonate

triethylsilyl 4-ethylbenzenesulfonate (PubChem CID 22104928) has the molecular formula C14H24O3SSi and a molecular weight of 300.50 g/mol. Its IUPAC name is triethylsilyl 4-ethylbenzenesulfonate.

Molecular Properties

Compound Nametriethylsilyl 4-ethylbenzenesulfonate
PubChem CID22104928
Molecular FormulaC14H24O3SSi
Molecular Weight300.50 g/mol
Exact Mass300.12
IUPAC Nametriethylsilyl 4-ethylbenzenesulfonate
SMILESCCc1ccc(S(=O)(=O)O[Si](CC)(CC)CC)cc1
InChIInChI=1S/C14H24O3SSi/c1-5-13-9-11-14(12-10-13)18(15,16)17-19(6-2,7-3)8-4/h9-12H,5-8H2,1-4H3
InChIKeyYTLOPZXFLJBTSL-UHFFFAOYSA-N
XLogP3.96
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze triethylsilyl 4-ethylbenzenesulfonate 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

triethylsilyl 4-chlorobenzenesulfonate
CID 87598403
1-ethyl-4-methylsulfonylbenzene
CID 143759723
3-trimethylsilylpropyl 4-ethylbenzenesulfonate
CID 21102850
calcium bis(4-ethylbenzenesulfonate)
CID 87263292
3-methoxypropyl 4-ethylbenzenesulfonate
CID 139894241
2,3,4-tris[(4-ethylphenyl)sulfonyloxy]butyl 4-ethylbenzenesulfonate
CID 21102675
(4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane
CID 147118244
(4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane
CID 58248155
1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
4-ethylbenzenesulfonothioamide
CID 154167373
(4-ethylphenyl)sulfonylformonitrile
CID 117036973
4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride
CID 3050820

Frequently Asked Questions

What is the IUPAC name of triethylsilyl 4-ethylbenzenesulfonate?
The IUPAC name of triethylsilyl 4-ethylbenzenesulfonate (CID 22104928) is triethylsilyl 4-ethylbenzenesulfonate.
What is the SMILES notation for triethylsilyl 4-ethylbenzenesulfonate?
The canonical SMILES for triethylsilyl 4-ethylbenzenesulfonate is CCc1ccc(S(=O)(=O)O[Si](CC)(CC)CC)cc1.
What is the InChIKey of triethylsilyl 4-ethylbenzenesulfonate?
The InChIKey is YTLOPZXFLJBTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3SSi/c1-5-13-9-11-14(12-10-13)18(15,16)17-19(6-2,7-3)8-4/h9-12H,5-8H2,1-4H3.
What are the key properties of triethylsilyl 4-ethylbenzenesulfonate?
triethylsilyl 4-ethylbenzenesulfonate has a molecular weight of 300.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 4-ethylbenzenesulfonate is sourced from PubChem (CID 22104928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).