1-(2,2-dimethoxyethoxy)-2-methoxyethane

• ChemBase ID: 69011
• Molecular Formular: C7H16O4
• Molecular Mass: 164.19954
• Monoisotopic Mass: 164.10485899
• SMILES: C(COCCOC)(OC)OC
• Canonical SMILES: COCCOCC(OC)OC
• InChI: InChI=1S/C7H16O4/c1-8-4-5-11-6-7(9-2)10-3/h7H,4-6H2,1-3H3
• InChIKey: JPOUJDLGAPEXAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-dimethoxyethoxy)-2-methoxyethane
• IUPAC Traditional name: 1-(2,2-dimethoxyethoxy)-2-methoxyethane
• Synonyms: (2-Methoxyethoxy)acetaldehyde dimethyl acetal

Database IDs

• CAS Number: 94158-44-8
• MDL Number: MFCD00671583
• PubChem SID: 162034741
• PubChem CID: 56738

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.309501
• LogD (pH = 7.4): 0.309501
• Log P: 0.309501
• Molar Refractivity: 40.8806 cm^3
• Polarizability: 16.45576 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%