ethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate

C15H20O3Si — CID 57415176

IUPACethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C#C[Si](C)(C)C
InChIInChI=1S/C15H20O3Si/c1-5-17-15(16)12-18-14-9-7-6-8-13(14)10-11-19(2,3)4/h6-9H,5,12H2,1-4H3
InChIKeyIHMXAABBCSSGOH-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.86
Rot. Bonds4

About ethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate

ethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate (PubChem CID 57415176) has the molecular formula C15H20O3Si and a molecular weight of 276.41 g/mol. Its IUPAC name is ethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate
PubChem CID57415176
Molecular FormulaC15H20O3Si
Molecular Weight276.41 g/mol
Exact Mass276.12
IUPAC Nameethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C#C[Si](C)(C)C
InChIInChI=1S/C15H20O3Si/c1-5-17-15(16)12-18-14-9-7-6-8-13(14)10-11-19(2,3)4/h6-9H,5,12H2,1-4H3
InChIKeyIHMXAABBCSSGOH-UHFFFAOYSA-N
XLogP2.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582
ethyl 2-(3-amino-2-fluorophenoxy)acetate
CID 141351730
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
CID 43503550
CID 88907825
CID 88907825
ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide
CID 56832420
[2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9274874
propyl 2-(2-ethoxyphenoxy)acetate
CID 112724725
ethyl 2-(2-amino-5-chlorophenoxy)acetate
CID 62305338

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate (CID 57415176) is ethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate is CCOC(=O)COc1ccccc1C#C[Si](C)(C)C.
What is the InChIKey of ethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate?
The InChIKey is IHMXAABBCSSGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3Si/c1-5-17-15(16)12-18-14-9-7-6-8-13(14)10-11-19(2,3)4/h6-9H,5,12H2,1-4H3.
What are the key properties of ethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate?
ethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate has a molecular weight of 276.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate is sourced from PubChem (CID 57415176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).