(5R)-5-methyloxolan-2-one

• ChemBase ID: 245063
• Molecular Formular: C5H8O2
• Molecular Mass: 100.11582
• Monoisotopic Mass: 100.0524295
• SMILES: C1(=O)O[C@@H](CC1)C
• Canonical SMILES: C[C@@H]1CCC(=O)O1
• InChI: InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3/t4-/m1/s1
• InChIKey: GAEKPEKOJKCEMS-SCSAIBSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5R)-5-methyloxolan-2-one
• IUPAC Traditional name: (+)-gamma-valerolactone
• Synonyms: (5R)-5-methyloxolan-2-one

Database IDs

• MDL Number: MFCD01863131
• PubChem SID: 164300973
• PubChem CID: 642783

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.56612635
• LogD (pH = 7.4): 0.56612635
• Log P: 0.56612635
• Molar Refractivity: 24.7269 cm^3
• Polarizability: 10.005251 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.284

Product Information

• Purity: 95%