ethyl 2-[3-methoxy-2-(2-trimethylsilylethoxymethyl)phenyl]acetate

C17H28O4Si — CID 67706542

IUPACethyl 2-[3-methoxy-2-(2-trimethylsilylethoxymethyl)phenyl]acetate
SMILESCCOC(=O)Cc1cccc(OC)c1COCC[Si](C)(C)C
InChIInChI=1S/C17H28O4Si/c1-6-21-17(18)12-14-8-7-9-16(19-2)15(14)13-20-10-11-22(3,4)5/h7-9H,6,10-13H2,1-5H3
InChIKeyIHAULEDOKQVRCX-UHFFFAOYSA-N
MW324.49 g/mol
LogP3.66
Rot. Bonds9

About ethyl 2-[3-methoxy-2-(2-trimethylsilylethoxymethyl)phenyl]acetate

ethyl 2-[3-methoxy-2-(2-trimethylsilylethoxymethyl)phenyl]acetate (PubChem CID 67706542) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is ethyl 2-[3-methoxy-2-(2-trimethylsilylethoxymethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-methoxy-2-(2-trimethylsilylethoxymethyl)phenyl]acetate
PubChem CID67706542
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Nameethyl 2-[3-methoxy-2-(2-trimethylsilylethoxymethyl)phenyl]acetate
SMILESCCOC(=O)Cc1cccc(OC)c1COCC[Si](C)(C)C
InChIInChI=1S/C17H28O4Si/c1-6-21-17(18)12-14-8-7-9-16(19-2)15(14)13-20-10-11-22(3,4)5/h7-9H,6,10-13H2,1-5H3
InChIKeyIHAULEDOKQVRCX-UHFFFAOYSA-N
XLogP3.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-methoxy-2-(2-trimethylsilylethoxymethyl)phenyl]acetate?
The IUPAC name of ethyl 2-[3-methoxy-2-(2-trimethylsilylethoxymethyl)phenyl]acetate (CID 67706542) is ethyl 2-[3-methoxy-2-(2-trimethylsilylethoxymethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-methoxy-2-(2-trimethylsilylethoxymethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[3-methoxy-2-(2-trimethylsilylethoxymethyl)phenyl]acetate is CCOC(=O)Cc1cccc(OC)c1COCC[Si](C)(C)C.
What is the InChIKey of ethyl 2-[3-methoxy-2-(2-trimethylsilylethoxymethyl)phenyl]acetate?
The InChIKey is IHAULEDOKQVRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4Si/c1-6-21-17(18)12-14-8-7-9-16(19-2)15(14)13-20-10-11-22(3,4)5/h7-9H,6,10-13H2,1-5H3.
What are the key properties of ethyl 2-[3-methoxy-2-(2-trimethylsilylethoxymethyl)phenyl]acetate?
ethyl 2-[3-methoxy-2-(2-trimethylsilylethoxymethyl)phenyl]acetate has a molecular weight of 324.49 g/mol, XLogP of 3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-methoxy-2-(2-trimethylsilylethoxymethyl)phenyl]acetate is sourced from PubChem (CID 67706542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).