2-(2,2-diethoxyethoxy)propane

• ChemBase ID: 272513
• Molecular Formular: C9H20O3
• Molecular Mass: 176.2533
• Monoisotopic Mass: 176.1412445
• SMILES: C(COC(C)C)(OCC)OCC
• Canonical SMILES: CCOC(COC(C)C)OCC
• InChI: InChI=1S/C9H20O3/c1-5-10-9(11-6-2)7-12-8(3)4/h8-9H,5-7H2,1-4H3
• InChIKey: APQLLWRAYFLKQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,2-diethoxyethoxy)propane
• IUPAC Traditional name: 2-(2,2-diethoxyethoxy)propane
• Synonyms: 2-(2,2-diethoxyethoxy)propane

Database IDs

• MDL Number: MFCD18380705
• PubChem SID: 164328423
• PubChem CID: 12600150

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8434753
• LogD (pH = 7.4): 1.8434753
• Log P: 1.8434753
• Molar Refractivity: 48.5017 cm^3
• Polarizability: 19.390432 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.906

Product Information

• Purity: 95%