1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR’, where R and R’ are alkyl groups.

Dialkyl ethers

Organic compounds

Organooxygen compounds

Ethers

Dialkyl ethers

Calculated Property

kind Value Source
logP 0.64 ALOGPS
logS -1.1 ALOGPS
Water Solubility 1.14e+01 g/l ALOGPS
logP 0.74 ChemAxon
IUPAC Name 1-ethoxy-2-(2-ethoxyethoxy)ethane ChemAxon
Traditional IUPAC Name bis (2-ethoxy ethyl) ether ChemAxon
Molecular Weight 162.2267 ChemAxon
Monoisotopic Weight 162.125594442 ChemAxon
SMILES CCOCCOCCOCC ChemAxon
Molecular Formula C8H18O3 ChemAxon
InChI InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3 ChemAxon
InChIKey InChIKey=RRQYJINTUHWNHW-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 27.69 ChemAxon
Refractivity 44.6 ChemAxon
Polarizability 19.75 ChemAxon
Rotatable Bond Count 8 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) -3.7 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
  • Uncharacterized lipoprotein YbbD : in Bacillus subtilis (strain 168)
  • Phosphoenolpyruvate-protein phosphotransferase : in Acinetobacter sp. (strain ADP1)