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

• ChemBase ID: 50483
• Molecular Formular: C7H14O3
• Molecular Mass: 146.18426
• Monoisotopic Mass: 146.09429431
• SMILES: O1C(COCCO)CCC1
• Canonical SMILES: OCCOCC1CCCO1
• InChI: InChI=1S/C7H14O3/c8-3-5-9-6-7-2-1-4-10-7/h7-8H,1-6H2
• InChIKey: CTPDSKVQLSDPLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-2-ylmethoxy)ethan-1-ol
• IUPAC Traditional name: 2-(oxolan-2-ylmethoxy)ethanol
• Synonyms: 2-(Tetrahydro-2-furanylmethoxy)-1-ethanol

Database IDs

• CAS Number: 5831-59-4
• MDL Number: MFCD11046650
• PubChem SID: 162055246
• PubChem CID: 110717

CALCULATED PROPERTIES

• Acid pKa: 15.121135
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.14696355
• LogD (pH = 7.4): -0.14696355
• Log P: -0.14696355
• Molar Refractivity: 37.5595 cm^3
• Polarizability: 14.936832 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false