2-(oxan-2-yl)ethan-1-ol

• ChemBase ID: 307522
• Molecular Formular: C7H14O2
• Molecular Mass: 130.18486
• Monoisotopic Mass: 130.09937969
• SMILES: O1C(CCO)CCCC1
• Canonical SMILES: OCCC1CCCCO1
• InChI: InChI=1S/C7H14O2/c8-5-4-7-3-1-2-6-9-7/h7-8H,1-6H2
• InChIKey: XJBHWDKRZXYEDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxan-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-(oxan-2-yl)ethanol
• Synonyms: 2-(tetrahydro-2H-pyran-2-yl)ethanol

Database IDs

• CAS Number: 38786-79-7
• MDL Number: MFCD09054686

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.40454036
• LogD (pH = 7.4): 0.40454036
• Log P: 0.40454036
• Molar Refractivity: 35.9824 cm^3
• Polarizability: 14.211557 Å^3
• Polar Surface Area: 29.46 Å^2