1-(benzenesulfinyl)-2-phenyl-4-trimethylsilylbut-3-yn-2-ol

C19H22O2SSi — CID 15653946

IUPAC1-(benzenesulfinyl)-2-phenyl-4-trimethylsilylbut-3-yn-2-ol
SMILESC[Si](C)(C)C#CC(O)(CS(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O2SSi/c1-23(2,3)15-14-19(20,17-10-6-4-7-11-17)16-22(21)18-12-8-5-9-13-18/h4-13,20H,16H2,1-3H3
InChIKeyNIPMXIYCHDTFHU-UHFFFAOYSA-N
MW342.54 g/mol
LogP3.56
Rot. Bonds4

About 1-(benzenesulfinyl)-2-phenyl-4-trimethylsilylbut-3-yn-2-ol

1-(benzenesulfinyl)-2-phenyl-4-trimethylsilylbut-3-yn-2-ol (PubChem CID 15653946) has the molecular formula C19H22O2SSi and a molecular weight of 342.54 g/mol. Its IUPAC name is 1-(benzenesulfinyl)-2-phenyl-4-trimethylsilylbut-3-yn-2-ol.

Molecular Properties

Compound Name1-(benzenesulfinyl)-2-phenyl-4-trimethylsilylbut-3-yn-2-ol
PubChem CID15653946
Molecular FormulaC19H22O2SSi
Molecular Weight342.54 g/mol
Exact Mass342.11
IUPAC Name1-(benzenesulfinyl)-2-phenyl-4-trimethylsilylbut-3-yn-2-ol
SMILESC[Si](C)(C)C#CC(O)(CS(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O2SSi/c1-23(2,3)15-14-19(20,17-10-6-4-7-11-17)16-22(21)18-12-8-5-9-13-18/h4-13,20H,16H2,1-3H3
InChIKeyNIPMXIYCHDTFHU-UHFFFAOYSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfinyl)-2-phenyl-4-trimethylsilylbut-3-yn-2-ol?
The IUPAC name of 1-(benzenesulfinyl)-2-phenyl-4-trimethylsilylbut-3-yn-2-ol (CID 15653946) is 1-(benzenesulfinyl)-2-phenyl-4-trimethylsilylbut-3-yn-2-ol.
What is the SMILES notation for 1-(benzenesulfinyl)-2-phenyl-4-trimethylsilylbut-3-yn-2-ol?
The canonical SMILES for 1-(benzenesulfinyl)-2-phenyl-4-trimethylsilylbut-3-yn-2-ol is C[Si](C)(C)C#CC(O)(CS(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(benzenesulfinyl)-2-phenyl-4-trimethylsilylbut-3-yn-2-ol?
The InChIKey is NIPMXIYCHDTFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2SSi/c1-23(2,3)15-14-19(20,17-10-6-4-7-11-17)16-22(21)18-12-8-5-9-13-18/h4-13,20H,16H2,1-3H3.
What are the key properties of 1-(benzenesulfinyl)-2-phenyl-4-trimethylsilylbut-3-yn-2-ol?
1-(benzenesulfinyl)-2-phenyl-4-trimethylsilylbut-3-yn-2-ol has a molecular weight of 342.54 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfinyl)-2-phenyl-4-trimethylsilylbut-3-yn-2-ol is sourced from PubChem (CID 15653946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).