oxan-2-ylmethyl methanesulfonate

• ChemBase ID: 247824
• Molecular Formular: C7H14O4S
• Molecular Mass: 194.24866
• Monoisotopic Mass: 194.06127993
• SMILES: S(=O)(=O)(OCC1OCCCC1)C
• Canonical SMILES: CS(=O)(=O)OCC1CCCCO1
• InChI: InChI=1S/C7H14O4S/c1-12(8,9)11-6-7-4-2-3-5-10-7/h7H,2-6H2,1H3
• InChIKey: MFCJQPGABLDBKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxan-2-ylmethyl methanesulfonate
• IUPAC Traditional name: oxan-2-ylmethyl methanesulfonate
• Synonyms: oxan-2-ylmethyl methanesulfonate

Database IDs

• PubChem SID: 164303734
• PubChem CID: 288115

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.28074485
• LogD (pH = 7.4): 0.28074485
• Log P: 0.28074485
• Molar Refractivity: 43.8695 cm^3
• Polarizability: 18.55789 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.661

Product Information

• Purity: 95%