1-[tris(2H5)ethoxymethoxy](2H5)ethane

• ChemBase ID: 178278
• Molecular Formular: C9H20O4
• Molecular Mass: 192.2527
• Monoisotopic Mass: 192.13615912
• SMILES: O(C(OCC)(OCC)OCC)CC
• Canonical SMILES: CCOC(OCC)(OCC)OCC
• InChI: InChI=1S/C9H20O4/c1-5-10-9(11-6-2,12-7-3)13-8-4/h5-8H2,1-4H3
• InChIKey: CWLNAJYDRSIKJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[tris(^2H₅)ethoxymethoxy](^2H₅)ethane
• IUPAC Traditional name: 1-[tris(^2H₅)ethoxymethoxy](^2H₅)ethane
• Synonyms: 1,1',1'',1'''-[Methanetetrayltetrakis(oxy)]tetrakis-ethane-d20; Orthocarbonic Acid Tetraethyl Ester-d20; NSC 28574-d20; Tetraethoxymethane-d20; Tetraethyl Orthocarbonate-d20

Database IDs

• PubChem SID: 164234188
• PubChem CID: 46783035

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.741825
• LogD (pH = 7.4): 2.741825
• Log P: 2.741825
• Molar Refractivity: 50.5614 cm^3
• Polarizability: 20.111826 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Colourless Liquid

REFERENCES

• Larsen, J., et al.: Int. J. Pharm., 51, 27 (1989)