decan-2-yl methanesulfonate

• ChemBase ID: 165493
• Molecular Formular: C11H24O3S
• Molecular Mass: 236.37146
• Monoisotopic Mass: 236.14461563
• SMILES: CCCCCCCCC(C)OS(=O)(=O)C
• Canonical SMILES: CCCCCCCCC(OS(=O)(=O)C)C
• InChI: InChI=1S/C11H24O3S/c1-4-5-6-7-8-9-10-11(2)14-15(3,12)13/h11H,4-10H2,1-3H3
• InChIKey: HPSIUOJRGICRRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decan-2-yl methanesulfonate
• IUPAC Traditional name: decan-2-yl methanesulfonate
• Synonyms: 2-Decanol Methanesulfonate; 2-Decanol 2-Methanesulfonate

Database IDs

• CAS Number: 156575-41-6
• PubChem SID: 162259626
• PubChem CID: 14916009

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3809044
• LogD (pH = 7.4): 3.3809044
• Log P: 3.3809044
• Molar Refractivity: 62.3112 cm^3
• Polarizability: 25.862648 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Hexanes
• Apperance: White Solid