(3S)-oxolan-3-ylmethanol

• ChemBase ID: 63356
• Molecular Formular: C5H10O2
• Molecular Mass: 102.1317
• Monoisotopic Mass: 102.06807956
• SMILES: O1CC[C@@H](CO)C1
• Canonical SMILES: OC[C@H]1COCC1
• InChI: InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m0/s1
• InChIKey: PCPUMGYALMOCHF-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-oxolan-3-ylmethanol
• IUPAC Traditional name: (3S)-oxolan-3-ylmethanol
• Synonyms: (S)-Tetrahydrofuran-3-ylmethanol

Database IDs

• CAS Number: 124391-75-9
• MDL Number: MFCD17015961
• PubChem SID: 162029095
• PubChem CID: 40784875

CALCULATED PROPERTIES

• Acid pKa: 15.394866
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.49980217
• LogD (pH = 7.4): -0.49980217
• Log P: -0.49980217
• Molar Refractivity: 26.855 cm^3
• Polarizability: 10.544464 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%