chempirical

(Trimethylsilyl)acetic acid

C5H12O2SiCAS 2345-38-2132.23 g/mol

Open in Covalent MOL file
SiOOH
Carboxylic acid

Properties

Molecular formula
C5H12O2Si
Molar mass
132.23 g/mol
Exact mass
132.0607 Da
Melting point
40–42 °C
Boiling point
90–905 °C (at 10 Torr)
logP
1.41Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
2345-38-2
SMILES
C[Si](C)(C)CC(=O)O
InChIKey
JDMMZVAKMAONFU-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O2Si/c1-8(2,3)4-5(6)7/h4H2,1-3H3,(H,6,7)

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Names and synonyms

3 names
  • Acetic acid, 2-(trimethylsilyl)-
  • Acetic acid, (trimethylsilyl)-
  • 2-(Trimethylsilyl)acetic acid

Work with (Trimethylsilyl)acetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Trimethylsilylpropanoic acid5683-30-758 % similar Propionic acid79-09-443 % similar Succinic acid110-15-643 % similar Methyl trimethylsilylacetate2916-76-941 % similar Butyric acid107-92-640 % similar Glutaric acid110-94-139 % similar Polyglycolide26124-68-539 % similar Glycolic acid79-14-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Vinylmethyldimethoxysilane16753-62-1 Trimethylsilyl acetate2754-27-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook