methyl 2-(2-trimethylsilyloxyphenyl)acetate

C12H18O3Si — CID 24754724

IUPACmethyl 2-(2-trimethylsilyloxyphenyl)acetate
SMILESCOC(=O)Cc1ccccc1O[Si](C)(C)C
InChIInChI=1S/C12H18O3Si/c1-14-12(13)9-10-7-5-6-8-11(10)15-16(2,3)4/h5-8H,9H2,1-4H3
InChIKeySDIOMFRAASJXFM-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.62
Rot. Bonds4

About methyl 2-(2-trimethylsilyloxyphenyl)acetate

methyl 2-(2-trimethylsilyloxyphenyl)acetate (PubChem CID 24754724) has the molecular formula C12H18O3Si and a molecular weight of 238.36 g/mol. Its IUPAC name is methyl 2-(2-trimethylsilyloxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-trimethylsilyloxyphenyl)acetate
PubChem CID24754724
Molecular FormulaC12H18O3Si
Molecular Weight238.36 g/mol
Exact Mass238.10
IUPAC Namemethyl 2-(2-trimethylsilyloxyphenyl)acetate
SMILESCOC(=O)Cc1ccccc1O[Si](C)(C)C
InChIInChI=1S/C12H18O3Si/c1-14-12(13)9-10-7-5-6-8-11(10)15-16(2,3)4/h5-8H,9H2,1-4H3
InChIKeySDIOMFRAASJXFM-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-trimethylsilyloxyphenyl)acetate?
The IUPAC name of methyl 2-(2-trimethylsilyloxyphenyl)acetate (CID 24754724) is methyl 2-(2-trimethylsilyloxyphenyl)acetate.
What is the SMILES notation for methyl 2-(2-trimethylsilyloxyphenyl)acetate?
The canonical SMILES for methyl 2-(2-trimethylsilyloxyphenyl)acetate is COC(=O)Cc1ccccc1O[Si](C)(C)C.
What is the InChIKey of methyl 2-(2-trimethylsilyloxyphenyl)acetate?
The InChIKey is SDIOMFRAASJXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3Si/c1-14-12(13)9-10-7-5-6-8-11(10)15-16(2,3)4/h5-8H,9H2,1-4H3.
What are the key properties of methyl 2-(2-trimethylsilyloxyphenyl)acetate?
methyl 2-(2-trimethylsilyloxyphenyl)acetate has a molecular weight of 238.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-trimethylsilyloxyphenyl)acetate is sourced from PubChem (CID 24754724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).