1,3,2-Dioxaborolan-2-Ol

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as dioxaborolanes. These are compounds containing a five-member saturated aliphatic heterocycle made up of two oxygen atoms, a boron atom, and three carbon atoms.

Dioxaborolanes

Organic compounds

Organoheterocyclic compounds

Dioxaborolanes

Calculated Property

kind Value Source
logP -0.81 ALOGPS
logS 0.89 ALOGPS
Water Solubility 6.75e+02 g/l ALOGPS
logP 0.77 ChemAxon
IUPAC Name 1,3,2-dioxaborolan-2-ol ChemAxon
Traditional IUPAC Name 1,3,2-dioxaborolan-2-ol ChemAxon
Molecular Weight 87.87 ChemAxon
Monoisotopic Weight 88.033174492 ChemAxon
SMILES OB1OCCO1 ChemAxon
Molecular Formula C2H5BO3 ChemAxon
InChI InChI=1S/C2H5BO3/c4-3-5-1-2-6-3/h4H,1-2H2 ChemAxon
InChIKey InChIKey=ZBEDLGKSWBORBS-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 38.69 ChemAxon
Refractivity 14.69 ChemAxon
Polarizability 8.26 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 8.98 ChemAxon
pKa (strongest basic) -4.8 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Trypsin-3 : in Human