(oxolan-2-yl)methyl

• ChemBase ID: 796150
• Molecular Formular: C5H9O
• Molecular Mass: 85.12436
• Monoisotopic Mass: 85.06533991
• SMILES: [CH2]C1OCCC1
• Canonical SMILES: [CH2]C1CCCO1
• InChI: InChI=1S/C5H9O/c1-5-3-2-4-6-5/h5H,1-4H2
• InChIKey: IVNMXYOTNCGNFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (oxolan-2-yl)methyl
• IUPAC Traditional name: oxolan-2-ylmethyl
• Synonyms: (Tetrahydrofuran-2-yl)Methyl

Database IDs

• CAS Number: 64028-63-3

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.9889
• LogD (pH = 7.4): 0.9889
• Log P: 0.9889
• Molar Refractivity: 23.6491 cm^3
• Polarizability: 9.78029 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%