2-(3-methylphenyl)-3-trimethylsilylpropanoic acid

C13H20O2Si — CID 106322983

IUPAC2-(3-methylphenyl)-3-trimethylsilylpropanoic acid
SMILESCc1cccc(C(C[Si](C)(C)C)C(=O)O)c1
InChIInChI=1S/C13H20O2Si/c1-10-6-5-7-11(8-10)12(13(14)15)9-16(2,3)4/h5-8,12H,9H2,1-4H3,(H,14,15)
InChIKeyMYGKFIRINXLYTC-UHFFFAOYSA-N
MW236.39 g/mol
LogP3.50
Rot. Bonds4

About 2-(3-methylphenyl)-3-trimethylsilylpropanoic acid

2-(3-methylphenyl)-3-trimethylsilylpropanoic acid (PubChem CID 106322983) has the molecular formula C13H20O2Si and a molecular weight of 236.39 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-trimethylsilylpropanoic acid.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-trimethylsilylpropanoic acid
PubChem CID106322983
Molecular FormulaC13H20O2Si
Molecular Weight236.39 g/mol
Exact Mass236.12
IUPAC Name2-(3-methylphenyl)-3-trimethylsilylpropanoic acid
SMILESCc1cccc(C(C[Si](C)(C)C)C(=O)O)c1
InChIInChI=1S/C13H20O2Si/c1-10-6-5-7-11(8-10)12(13(14)15)9-16(2,3)4/h5-8,12H,9H2,1-4H3,(H,14,15)
InChIKeyMYGKFIRINXLYTC-UHFFFAOYSA-N
XLogP3.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenyl)-5-trimethylsilylpent-4-ynoic acid
CID 22170995
2-(3-methylphenyl)-4-phenylbutanoic acid
CID 79436887
(2S)-5-amino-2-(3-methylphenyl)-5-oxopentanoic acid
CID 176716064
(2R)-4-methoxy-2-(3-methylphenyl)-4-oxobutanoic acid
CID 159328207
5,5-dimethyl-2-(3-methylphenyl)hexanoic acid
CID 79437191
4-ethylsulfonyl-2-(3-methylphenyl)butanoic acid
CID 79436746
2-(3-methylphenyl)-4-propan-2-ylsulfonylbutanoic acid
CID 106727832
3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid
CID 79435789
1,5-dibromo-2,4-bis(3-methylphenyl)pentan-3-one
CID 151406599
(3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid
CID 11708164
2-(3-methylphenyl)-4-(trifluoromethoxy)butanoic acid
CID 79436322
3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243455

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-trimethylsilylpropanoic acid?
The IUPAC name of 2-(3-methylphenyl)-3-trimethylsilylpropanoic acid (CID 106322983) is 2-(3-methylphenyl)-3-trimethylsilylpropanoic acid.
What is the SMILES notation for 2-(3-methylphenyl)-3-trimethylsilylpropanoic acid?
The canonical SMILES for 2-(3-methylphenyl)-3-trimethylsilylpropanoic acid is Cc1cccc(C(C[Si](C)(C)C)C(=O)O)c1.
What is the InChIKey of 2-(3-methylphenyl)-3-trimethylsilylpropanoic acid?
The InChIKey is MYGKFIRINXLYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2Si/c1-10-6-5-7-11(8-10)12(13(14)15)9-16(2,3)4/h5-8,12H,9H2,1-4H3,(H,14,15).
What are the key properties of 2-(3-methylphenyl)-3-trimethylsilylpropanoic acid?
2-(3-methylphenyl)-3-trimethylsilylpropanoic acid has a molecular weight of 236.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3-trimethylsilylpropanoic acid is sourced from PubChem (CID 106322983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).