1-phenyl-1-thiophen-2-yl-3-trimethylsilylprop-2-yn-1-ol

C16H18OSSi — CID 135086255

IUPAC1-phenyl-1-thiophen-2-yl-3-trimethylsilylprop-2-yn-1-ol
SMILESC[Si](C)(C)C#CC(O)(c1ccccc1)c1cccs1
InChIInChI=1S/C16H18OSSi/c1-19(2,3)13-11-16(17,15-10-7-12-18-15)14-8-5-4-6-9-14/h4-10,12,17H,1-3H3
InChIKeyFXSYXNUBJNMUAG-UHFFFAOYSA-N
MW286.47 g/mol
LogP3.86
Rot. Bonds2

About 1-phenyl-1-thiophen-2-yl-3-trimethylsilylprop-2-yn-1-ol

1-phenyl-1-thiophen-2-yl-3-trimethylsilylprop-2-yn-1-ol (PubChem CID 135086255) has the molecular formula C16H18OSSi and a molecular weight of 286.47 g/mol. Its IUPAC name is 1-phenyl-1-thiophen-2-yl-3-trimethylsilylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-phenyl-1-thiophen-2-yl-3-trimethylsilylprop-2-yn-1-ol
PubChem CID135086255
Molecular FormulaC16H18OSSi
Molecular Weight286.47 g/mol
Exact Mass286.08
IUPAC Name1-phenyl-1-thiophen-2-yl-3-trimethylsilylprop-2-yn-1-ol
SMILESC[Si](C)(C)C#CC(O)(c1ccccc1)c1cccs1
InChIInChI=1S/C16H18OSSi/c1-19(2,3)13-11-16(17,15-10-7-12-18-15)14-8-5-4-6-9-14/h4-10,12,17H,1-3H3
InChIKeyFXSYXNUBJNMUAG-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 53.86
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-phenyl-1-thiophen-2-yl-3-trimethylsilylprop-2-yn-1-ol?
The IUPAC name of 1-phenyl-1-thiophen-2-yl-3-trimethylsilylprop-2-yn-1-ol (CID 135086255) is 1-phenyl-1-thiophen-2-yl-3-trimethylsilylprop-2-yn-1-ol.
What is the SMILES notation for 1-phenyl-1-thiophen-2-yl-3-trimethylsilylprop-2-yn-1-ol?
The canonical SMILES for 1-phenyl-1-thiophen-2-yl-3-trimethylsilylprop-2-yn-1-ol is C[Si](C)(C)C#CC(O)(c1ccccc1)c1cccs1.
What is the InChIKey of 1-phenyl-1-thiophen-2-yl-3-trimethylsilylprop-2-yn-1-ol?
The InChIKey is FXSYXNUBJNMUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OSSi/c1-19(2,3)13-11-16(17,15-10-7-12-18-15)14-8-5-4-6-9-14/h4-10,12,17H,1-3H3.
What are the key properties of 1-phenyl-1-thiophen-2-yl-3-trimethylsilylprop-2-yn-1-ol?
1-phenyl-1-thiophen-2-yl-3-trimethylsilylprop-2-yn-1-ol has a molecular weight of 286.47 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-thiophen-2-yl-3-trimethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 135086255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).