3-Trimethylsilylsuccinic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.

Dicarboxylic acids and derivatives

Organic compounds

Organic acids and derivatives

Carboxylic acids and derivatives

Dicarboxylic acids and derivatives

Calculated Property

kind Value Source
logP 0.93 ALOGPS
logS -1.5 ALOGPS
Water Solubility 5.95e+00 g/l ALOGPS
logP 1.41 ChemAxon
IUPAC Name (2S)-2-(trimethylsilyl)butanedioic acid ChemAxon
Traditional IUPAC Name 3-trimethylsilylsuccinic acid ChemAxon
Molecular Weight 190.2692 ChemAxon
Monoisotopic Weight 190.066135469 ChemAxon
SMILES C[Si](C)(C)[C@@H](CC(O)=O)C(O)=O ChemAxon
Molecular Formula C7H14O4Si ChemAxon
InChI InChI=1S/C7H14O4Si/c1-12(2,3)5(7(10)11)4-6(8)9/h5H,4H2,1-3H3,(H,8,9)(H,10,11)/t5-/m0/s1 ChemAxon
InChIKey InChIKey=RTXZCZFAAYFFKF-YFKPBYRVSA-N ChemAxon
Polar Surface Area (PSA) 74.6 ChemAxon
Refractivity 38.96 ChemAxon
Polarizability 18.03 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 4.09 ChemAxon
Physiological Charge -2 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Fumarate hydratase class II : in Escherichia coli (strain K12)