prop-2-enyl 2-(2-trimethylsilyloxyethynyl)benzoate

C15H18O3Si — CID 153321032

IUPACprop-2-enyl 2-(2-trimethylsilyloxyethynyl)benzoate
SMILESC=CCOC(=O)c1ccccc1C#CO[Si](C)(C)C
InChIInChI=1S/C15H18O3Si/c1-5-11-17-15(16)14-9-7-6-8-13(14)10-12-18-19(2,3)4/h5-9H,1,11H2,2-4H3
InChIKeyIGFXSKHJFLRONX-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.19
Rot. Bonds4

About prop-2-enyl 2-(2-trimethylsilyloxyethynyl)benzoate

prop-2-enyl 2-(2-trimethylsilyloxyethynyl)benzoate (PubChem CID 153321032) has the molecular formula C15H18O3Si and a molecular weight of 274.39 g/mol. Its IUPAC name is prop-2-enyl 2-(2-trimethylsilyloxyethynyl)benzoate.

Molecular Properties

Compound Nameprop-2-enyl 2-(2-trimethylsilyloxyethynyl)benzoate
PubChem CID153321032
Molecular FormulaC15H18O3Si
Molecular Weight274.39 g/mol
Exact Mass274.10
IUPAC Nameprop-2-enyl 2-(2-trimethylsilyloxyethynyl)benzoate
SMILESC=CCOC(=O)c1ccccc1C#CO[Si](C)(C)C
InChIInChI=1S/C15H18O3Si/c1-5-11-17-15(16)14-9-7-6-8-13(14)10-12-18-19(2,3)4/h5-9H,1,11H2,2-4H3
InChIKeyIGFXSKHJFLRONX-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(2-trimethylsilyloxyethynyl)benzoate?
The IUPAC name of prop-2-enyl 2-(2-trimethylsilyloxyethynyl)benzoate (CID 153321032) is prop-2-enyl 2-(2-trimethylsilyloxyethynyl)benzoate.
What is the SMILES notation for prop-2-enyl 2-(2-trimethylsilyloxyethynyl)benzoate?
The canonical SMILES for prop-2-enyl 2-(2-trimethylsilyloxyethynyl)benzoate is C=CCOC(=O)c1ccccc1C#CO[Si](C)(C)C.
What is the InChIKey of prop-2-enyl 2-(2-trimethylsilyloxyethynyl)benzoate?
The InChIKey is IGFXSKHJFLRONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3Si/c1-5-11-17-15(16)14-9-7-6-8-13(14)10-12-18-19(2,3)4/h5-9H,1,11H2,2-4H3.
What are the key properties of prop-2-enyl 2-(2-trimethylsilyloxyethynyl)benzoate?
prop-2-enyl 2-(2-trimethylsilyloxyethynyl)benzoate has a molecular weight of 274.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(2-trimethylsilyloxyethynyl)benzoate is sourced from PubChem (CID 153321032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).