1-{2-[2-(2-Methoxyethoxy)Ethoxy]Ethoxy}-4-(1,1,3,3-Tetramethylbutyl)Benzene

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.

Phenylpropanes

Organic compounds

Benzenoids

Benzene and substituted derivatives

Phenylpropanes

Calculated Property

kind Value Source
logP 4.81 ALOGPS
logS -6.2 ALOGPS
Water Solubility 2.07e-04 g/l ALOGPS
logP 4.7 ChemAxon
IUPAC Name 1-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-4-(2,4,4-trimethylpentan-2-yl)benzene ChemAxon
Traditional IUPAC Name 1-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-4-(2,4,4-trimethylpentan-2-yl)benzene ChemAxon
Molecular Weight 352.5081 ChemAxon
Monoisotopic Weight 352.26135964 ChemAxon
SMILES COCCOCCOCCOC1=CC=C(C=C1)C(C)(C)CC(C)(C)C ChemAxon
Molecular Formula C21H36O4 ChemAxon
InChI InChI=1S/C21H36O4/c1-20(2,3)17-21(4,5)18-7-9-19(10-8-18)25-16-15-24-14-13-23-12-11-22-6/h7-10H,11-17H2,1-6H3 ChemAxon
InChIKey InChIKey=HEUDUECKTWTQQR-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 36.92 ChemAxon
Refractivity 102.54 ChemAxon
Polarizability 43.33 ChemAxon
Rotatable Bond Count 13 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) -3.6 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Phospholipase A2, membrane associated : in Human
  • Signal peptidase I : in Escherichia coli (strain K12)