1-Methoxy-2-[2-(2-Methoxy-Ethoxy]-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 -0.09 ALOGPS
logS -1 ALOGPS
Water Solubility 1.67e+01 g/l ALOGPS
logP -0.016 ChemAxon
IUPAC Name 2,5,8,11-tetraoxadodecane ChemAxon
Traditional IUPAC Name triglyme ChemAxon
Molecular Weight 178.2261 ChemAxon
Monoisotopic Weight 178.120509064 ChemAxon
SMILES COCCOCCOCCOC ChemAxon
Molecular Formula C8H18O4 ChemAxon
InChI InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3 ChemAxon
InChIKey InChIKey=YFNKIDBQEZZDLK-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 36.92 ChemAxon
Refractivity 46.14 ChemAxon
Polarizability 20.81 ChemAxon
Rotatable Bond Count 9 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) -3.5 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

  • Outer-membrane lipoprotein LolB : in Shigella flexneri
  • Profilin-2 : in Human
  • Outer-membrane lipoprotein LolB : in Escherichia coli (strain K12)
  • Uncharacterized protein : in Agrobacterium tumefaciens (strain C58 / ATCC 33970)
  • Serine acetyltransferase : in Yersinia pestis
  • Tyrosine-protein kinase Fyn : in Human
  • Peptidyl-prolyl cis-trans isomerase F, mitochondrial : in Human
  • Transcriptional regulator, GntR family : in Bacillus cereus (strain ATCC 10987)
  • ABC transporter, periplasmic substrate-binding protein : in Ruegeria pomeroyi (strain ATCC 700808 / DSM 15171 / DSS-3)
  • Transketolase : in Bacillus anthracis