1-(2-ethoxyethoxy)propan-2-ol

• ChemBase ID: 282866
• Molecular Formular: C7H16O3
• Molecular Mass: 148.20014
• Monoisotopic Mass: 148.10994437
• SMILES: OC(COCCOCC)C
• Canonical SMILES: CCOCCOCC(O)C
• InChI: InChI=1S/C7H16O3/c1-3-9-4-5-10-6-7(2)8/h7-8H,3-6H2,1-2H3
• InChIKey: IIZSMBZRUMDQGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-ethoxyethoxy)propan-2-ol
• IUPAC Traditional name: 1-(2-ethoxyethoxy)propan-2-ol
• Synonyms: 1-(2-ethoxyethoxy)propan-2-ol

Database IDs

• MDL Number: MFCD01696932
• PubChem SID: 180668397
• PubChem CID: 113743

CALCULATED PROPERTIES

• Acid pKa: 14.85357
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.16085489
• LogD (pH = 7.4): 0.16085488
• Log P: 0.16085489
• Molar Refractivity: 39.5157 cm^3
• Polarizability: 15.65072 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.044

Product Information

• Purity: 95%