1-(2H3)methoxy-2-{2-[2-(2H3)methoxyethoxy]ethoxy}ethane

• ChemBase ID: 179123
• Molecular Formular: C8H18O4
• Molecular Mass: 178.22612
• Monoisotopic Mass: 178.12050906
• SMILES: C(COCCOCCOC)OC
• Canonical SMILES: COCCOCCOCCOC
• InChI: InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
• InChIKey: YFNKIDBQEZZDLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(^2H₃)methoxy-2-{2-[2-(^2H₃)methoxyethoxy]ethoxy}ethane
• IUPAC Traditional name: 1-(^2H₃)methoxy-2-{2-[2-(^2H₃)methoxyethoxy]ethoxy}ethane
• Synonyms: 2,5,8,11-Tetraoxadodecane-d6; 1,2-Bis(2-methoxyethoxy)ethane-d6; Ansul Ether 161-d6; DMTG-d6; Glyme 4; Hisolve MTM-d6; Methyltriglyme-d6; NSC 66400-d6; Triethylene Glycol Dimethyl-d6 Ether; Triglyme-d6

Database IDs

• PubChem SID: 164235033
• PubChem CID: 46783182

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.01637709
• LogD (pH = 7.4): -0.01637709
• Log P: -0.01637709
• Molar Refractivity: 46.143 cm^3
• Polarizability: 18.28224 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - T793802

Labelled Triglyme. It is used as a solvent.