1-(oxolan-3-yloxy)propan-2-ol

• ChemBase ID: 236387
• Molecular Formular: C7H14O3
• Molecular Mass: 146.18426
• Monoisotopic Mass: 146.09429431
• SMILES: O1CCC(OCC(O)C)C1
• Canonical SMILES: CC(COC1COCC1)O
• InChI: InChI=1S/C7H14O3/c1-6(8)4-10-7-2-3-9-5-7/h6-8H,2-5H2,1H3
• InChIKey: YXQHTMHKFJDEHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxolan-3-yloxy)propan-2-ol
• IUPAC Traditional name: 1-(oxolan-3-yloxy)propan-2-ol
• Synonyms: 1-(oxolan-3-yloxy)propan-2-ol

Database IDs

• MDL Number: MFCD18365217
• PubChem SID: 164292297
• PubChem CID: 63557091

CALCULATED PROPERTIES

• Acid pKa: 14.852845
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.24775119
• LogD (pH = 7.4): -0.2477512
• Log P: -0.24775119
• Molar Refractivity: 37.3337 cm^3
• Polarizability: 14.936832 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.413

Product Information

• Purity: 95%