2-(oxiran-2-ylmethoxy)ethan-1-ol

• ChemBase ID: 239200
• Molecular Formular: C5H10O3
• Molecular Mass: 118.1311
• Monoisotopic Mass: 118.06299418
• SMILES: O1C(C1)COCCO
• Canonical SMILES: OCCOCC1CO1
• InChI: InChI=1S/C5H10O3/c6-1-2-7-3-5-4-8-5/h5-6H,1-4H2
• InChIKey: CUGZWHZWSVUSBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxiran-2-ylmethoxy)ethan-1-ol
• IUPAC Traditional name: 2-(oxiran-2-ylmethoxy)ethanol
• Synonyms: 2-(oxiran-2-ylmethoxy)ethan-1-ol

Database IDs

• MDL Number: MFCD01100513
• PubChem SID: 164295110
• PubChem CID: 4155932

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.72428596
• LogD (pH = 7.4): -0.72428596
• Log P: -0.72428596
• Molar Refractivity: 28.0495 cm^3
• Polarizability: 11.2896 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 15.121132

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.901

Product Information

• Purity: 95%