2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid

C13H16O2Si — CID 19957500

IUPAC2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid
SMILESC[Si](C)(C)C#Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H16O2Si/c1-16(2,3)9-8-11-4-6-12(7-5-11)10-13(14)15/h4-7H,10H2,1-3H3,(H,14,15)
InChIKeyAIWDYIZEMYJYBN-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.54
Rot. Bonds2

About 2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid

2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid (PubChem CID 19957500) has the molecular formula C13H16O2Si and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid
PubChem CID19957500
Molecular FormulaC13H16O2Si
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid
SMILESC[Si](C)(C)C#Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H16O2Si/c1-16(2,3)9-8-11-4-6-12(7-5-11)10-13(14)15/h4-7H,10H2,1-3H3,(H,14,15)
InChIKeyAIWDYIZEMYJYBN-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

S-[[4-(2-trimethylsilylethynyl)phenyl]methyl] ethanethioate
CID 10659177
(2R)-2-[[4-(2-trimethylsilylethynyl)phenyl]methylamino]propanoic acid
CID 59451860
phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone
CID 15849413
4-(2-trimethylsilylethynyl)phenol
CID 10750210
N-methyl-4-(2-trimethylsilylethynyl)benzamide
CID 68847986
trimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane
CID 134093066
4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol
CID 11843653
2-[4-[2-(thiiran-2-yl)ethynyl]phenyl]acetic acid
CID 143449144
4-(4-trimethylsilylbuta-1,3-diynyl)benzoic acid
CID 141099093
2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid
CID 91879301
2-[4-[2-(3,5-ditert-butyl-4-methoxyphenyl)ethynyl]phenyl]acetic acid
CID 10134274
tert-butyl [4-[[4-(2-trimethylsilylethynyl)phenyl]methoxy]phenyl] carbonate
CID 22925788

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid (CID 19957500) is 2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid is C[Si](C)(C)C#Cc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid?
The InChIKey is AIWDYIZEMYJYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2Si/c1-16(2,3)9-8-11-4-6-12(7-5-11)10-13(14)15/h4-7H,10H2,1-3H3,(H,14,15).
What are the key properties of 2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid?
2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid has a molecular weight of 232.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid is sourced from PubChem (CID 19957500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).