(1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phosphinic acid esters. These are compounds containing a phosphinic acid ester group.

Phosphinic acid esters

Organic compounds

Organophosphorus compounds

Organophosphinic acids and derivatives

Phosphinic acid esters

Calculated Property

kind Value Source
logP 1.42 ALOGPS
logS -1.9 ALOGPS
Water Solubility 1.87e+00 g/l ALOGPS
logP 1.67 ChemAxon
IUPAC Name (2R)-3,3-dimethylbutan-2-yl methylphosphinate ChemAxon
Traditional IUPAC Name (2R)-3,3-dimethylbutan-2-yl methylphosphinate ChemAxon
Molecular Weight 164.1824 ChemAxon
Monoisotopic Weight 164.0966163 ChemAxon
SMILES [H][C@](C)(O[P@@]([H])(C)=O)C(C)(C)C ChemAxon
Molecular Formula C7H17O2P ChemAxon
InChI InChI=1S/C7H17O2P/c1-6(7(2,3)4)9-10(5)8/h6,10H,1-5H3/t6-/m1/s1 ChemAxon
InChIKey InChIKey=QZUGWOMGKDLYKO-ZCFIWIBFSA-N ChemAxon
Polar Surface Area (PSA) 26.3 ChemAxon
Refractivity 43 ChemAxon
Polarizability 17.52 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) -6.6 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Acetylcholinesterase : in Human