Molecule ID: 79764

IUPAC Name: 3-trimethylsilylpropanoic acid

Description: The molecule is an organosilicon compound that is propionic acid substituted at position 3 by a trimethylsilyl group. It is used as internal reference in the NMR spectrum nuclear magnetic resonance for aqueous solvents (e.g. D2O). It is an organosilicon compound and a monocarboxylic acid. It derives from a propionic acid. It is a conjugate acid of a 3-(trimethylsilyl)propionate.

SMILES: C[Si](C)(C)CCC(=O)O

SELFIES: [C][Si][Branch1][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: nan