2-phenyl-4-trimethylsilylbut-3-yn-1-ol

C13H18OSi — CID 14140996

IUPAC2-phenyl-4-trimethylsilylbut-3-yn-1-ol
SMILESC[Si](C)(C)C#CC(CO)c1ccccc1
InChIInChI=1S/C13H18OSi/c1-15(2,3)10-9-13(11-14)12-7-5-4-6-8-12/h4-8,13-14H,11H2,1-3H3
InChIKeyVASVMPGOQADEPS-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.64
Rot. Bonds2

About 2-phenyl-4-trimethylsilylbut-3-yn-1-ol

2-phenyl-4-trimethylsilylbut-3-yn-1-ol (PubChem CID 14140996) has the molecular formula C13H18OSi and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-phenyl-4-trimethylsilylbut-3-yn-1-ol.

Molecular Properties

Compound Name2-phenyl-4-trimethylsilylbut-3-yn-1-ol
PubChem CID14140996
Molecular FormulaC13H18OSi
Molecular Weight218.37 g/mol
Exact Mass218.11
IUPAC Name2-phenyl-4-trimethylsilylbut-3-yn-1-ol
SMILESC[Si](C)(C)C#CC(CO)c1ccccc1
InChIInChI=1S/C13H18OSi/c1-15(2,3)10-9-13(11-14)12-7-5-4-6-8-12/h4-8,13-14H,11H2,1-3H3
InChIKeyVASVMPGOQADEPS-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-phenyl-4-trimethylsilylbut-3-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-trimethylsilylbut-3-yn-1-ol?
The IUPAC name of 2-phenyl-4-trimethylsilylbut-3-yn-1-ol (CID 14140996) is 2-phenyl-4-trimethylsilylbut-3-yn-1-ol.
What is the SMILES notation for 2-phenyl-4-trimethylsilylbut-3-yn-1-ol?
The canonical SMILES for 2-phenyl-4-trimethylsilylbut-3-yn-1-ol is C[Si](C)(C)C#CC(CO)c1ccccc1.
What is the InChIKey of 2-phenyl-4-trimethylsilylbut-3-yn-1-ol?
The InChIKey is VASVMPGOQADEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OSi/c1-15(2,3)10-9-13(11-14)12-7-5-4-6-8-12/h4-8,13-14H,11H2,1-3H3.
What are the key properties of 2-phenyl-4-trimethylsilylbut-3-yn-1-ol?
2-phenyl-4-trimethylsilylbut-3-yn-1-ol has a molecular weight of 218.37 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-trimethylsilylbut-3-yn-1-ol is sourced from PubChem (CID 14140996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).