decyl methanesulfonate

• ChemBase ID: 131531
• Molecular Formular: C11H24O3S
• Molecular Mass: 236.37146
• Monoisotopic Mass: 236.14461563
• SMILES: CCCCCCCCCCOS(=O)(=O)C
• Canonical SMILES: CCCCCCCCCCOS(=O)(=O)C
• InChI: InChI=1S/C11H24O3S/c1-3-4-5-6-7-8-9-10-11-14-15(2,12)13/h3-11H2,1-2H3
• InChIKey: AGHOUEDRPDQZBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decyl methanesulfonate
• IUPAC Traditional name: decyl methanesulfonate
• Synonyms: Methanesulfonic acid decyl ester; Decyl methanesulfonate

Database IDs

• CAS Number: 41233-29-8
• MDL Number: MFCD00057624
• PubChem SID: 162225809
• PubChem CID: 5235508

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.408898
• LogD (pH = 7.4): 3.408898
• Log P: 3.408898
• Molar Refractivity: 62.4934 cm^3
• Polarizability: 25.862648 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Storage Temperature: -20°C

DETAILS

Sigma Aldrich - M6389

包装
Sealed ampule.