2-methyl-2-(3-trimethylsilyloxyphenyl)propanoic acid

C13H20O3Si — CID 167726391

IUPAC2-methyl-2-(3-trimethylsilyloxyphenyl)propanoic acid
SMILESCC(C)(C(=O)O)c1cccc(O[Si](C)(C)C)c1
InChIInChI=1S/C13H20O3Si/c1-13(2,12(14)15)10-7-6-8-11(9-10)16-17(3,4)5/h6-9H,1-5H3,(H,14,15)
InChIKeyJIVIRJFQZCQXIB-UHFFFAOYSA-N
MW252.39 g/mol
LogP3.26
Rot. Bonds4

About 2-methyl-2-(3-trimethylsilyloxyphenyl)propanoic acid

2-methyl-2-(3-trimethylsilyloxyphenyl)propanoic acid (PubChem CID 167726391) has the molecular formula C13H20O3Si and a molecular weight of 252.39 g/mol. Its IUPAC name is 2-methyl-2-(3-trimethylsilyloxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-trimethylsilyloxyphenyl)propanoic acid
PubChem CID167726391
Molecular FormulaC13H20O3Si
Molecular Weight252.39 g/mol
Exact Mass252.12
IUPAC Name2-methyl-2-(3-trimethylsilyloxyphenyl)propanoic acid
SMILESCC(C)(C(=O)O)c1cccc(O[Si](C)(C)C)c1
InChIInChI=1S/C13H20O3Si/c1-13(2,12(14)15)10-7-6-8-11(9-10)16-17(3,4)5/h6-9H,1-5H3,(H,14,15)
InChIKeyJIVIRJFQZCQXIB-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-carboxypropan-2-yl)benzoic acid
CID 19965411
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CID 15582644
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CID 176514248
1-(3-trimethylsilyloxyphenyl)ethanone
CID 606413
2-(3-trimethylsilyloxyphenyl)acetic acid
CID 167737399
2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 39232920
2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
2-methyl-2-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]propanoic acid
CID 84738899
2-bromo-2-(3-methoxyphenyl)propanoic acid
CID 19795685
2-(3-cyanophenyl)-2-methylpropanoic acid
CID 22343997
magnesium;hydride;2-methyl-2-phenylpropanoic acid
CID 174669783
2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-trimethylsilyloxyphenyl)propanoic acid?
The IUPAC name of 2-methyl-2-(3-trimethylsilyloxyphenyl)propanoic acid (CID 167726391) is 2-methyl-2-(3-trimethylsilyloxyphenyl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(3-trimethylsilyloxyphenyl)propanoic acid?
The canonical SMILES for 2-methyl-2-(3-trimethylsilyloxyphenyl)propanoic acid is CC(C)(C(=O)O)c1cccc(O[Si](C)(C)C)c1.
What is the InChIKey of 2-methyl-2-(3-trimethylsilyloxyphenyl)propanoic acid?
The InChIKey is JIVIRJFQZCQXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3Si/c1-13(2,12(14)15)10-7-6-8-11(9-10)16-17(3,4)5/h6-9H,1-5H3,(H,14,15).
What are the key properties of 2-methyl-2-(3-trimethylsilyloxyphenyl)propanoic acid?
2-methyl-2-(3-trimethylsilyloxyphenyl)propanoic acid has a molecular weight of 252.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-trimethylsilyloxyphenyl)propanoic acid is sourced from PubChem (CID 167726391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).