2-(2-{2-[2-(2-{2-[2-(2-Ethoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethanol, Polyethyleneglycol Peg400

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3).

Polyethylene glycols

Organic compounds

Organooxygen compounds

Ethers

Dialkyl ethers

Calculated Property

kind Value Source
logP -0.38 ALOGPS
logS -3.2 ALOGPS
Water Solubility 2.32e-01 g/l ALOGPS
logP -0.54 ChemAxon
IUPAC Name 3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol ChemAxon
Traditional IUPAC Name 3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol ChemAxon
Molecular Weight 398.4889 ChemAxon
Monoisotopic Weight 398.251582814 ChemAxon
SMILES CCOCCOCCOCCOCCOCCOCCOCCOCCO ChemAxon
Molecular Formula C18H38O9 ChemAxon
InChI InChI=1S/C18H38O9/c1-2-20-5-6-22-9-10-24-13-14-26-17-18-27-16-15-25-12-11-23-8-7-21-4-3-19/h19H,2-18H2,1H3 ChemAxon
InChIKey InChIKey=CUDPPTPIUWYGFI-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 94.07 ChemAxon
Refractivity 101.36 ChemAxon
Polarizability 47.77 ChemAxon
Rotatable Bond Count 24 ChemAxon
H Bond Acceptor Count 9 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 15.12 ChemAxon
pKa (strongest basic) -2.7 ChemAxon
Physiological Charge 0 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

  • Carbonyl reductase [NADPH] 1 : in Human
  • DevB protein : in Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)