[(1R,2R)-2-[(methanesulfonyloxy)methyl]cyclohexyl]methyl methanesulfonate

• ChemBase ID: 165192
• Molecular Formular: C10H20O6S2
• Molecular Mass: 300.3922
• Monoisotopic Mass: 300.07013036
• SMILES: C1CC[C@H]([C@@H](C1)COS(=O)(=O)C)COS(=O)(=O)C
• Canonical SMILES: CS(=O)(=O)OC[C@@H]1CCCC[C@H]1COS(=O)(=O)C
• InChI: InChI=1S/C10H20O6S2/c1-17(11,12)15-7-9-5-3-4-6-10(9)8-16-18(2,13)14/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1
• InChIKey: JIHKCHWEXXZTOU-UWVGGRQHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1R,2R)-2-[(methanesulfonyloxy)methyl]cyclohexyl]methyl methanesulfonate
• IUPAC Traditional name: [(1R,2R)-2-[(methanesulfonyloxy)methyl]cyclohexyl]methyl methanesulfonate
• Synonyms: (1R-trans)-1,2-Cyclohexanedimethanol Dimethanesulfonate; (1R,2R)-1,2-Bis(methanesulfonyloxymethyl)cyclohexane; (1R,2R)-1,2-Bis(methanesulfonyloxymethyl)cyclohexan; (1R,2R)-1,2-Cyclohexanedimethanol 1,2-Dimethanesulfonate; (R,R)-1,2-Bis(Methanesulphonyloxymethyl)cyclohexane

Database IDs

• CAS Number: 186204-35-3
• MDL Number: MFCD12923309
• PubChem SID: 162259325
• PubChem CID: 253483

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.39632887
• LogD (pH = 7.4): 0.39632887
• Log P: 0.39632887
• Molar Refractivity: 65.9116 cm^3
• Polarizability: 28.331623 Å^3
• Polar Surface Area: 86.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Off-white Solid

Product Information

• Purity: 95+%