6-oxaspiro[4.5]decan-9-yl methanesulfonate

• ChemBase ID: 236159
• Molecular Formular: C10H18O4S
• Molecular Mass: 234.31252
• Monoisotopic Mass: 234.09258006
• SMILES: S(=O)(=O)(OC1CC2(OCC1)CCCC2)C
• Canonical SMILES: CS(=O)(=O)OC1CCOC2(C1)CCCC2
• InChI: InChI=1S/C10H18O4S/c1-15(11,12)14-9-4-7-13-10(8-9)5-2-3-6-10/h9H,2-8H2,1H3
• InChIKey: NQFHSSUAQITMPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-oxaspiro[4.5]decan-9-yl methanesulfonate
• IUPAC Traditional name: 6-oxaspiro[4.5]decan-9-yl methanesulfonate
• Synonyms: 6-oxaspiro[4.5]decan-9-yl methanesulfonate

Database IDs

• MDL Number: MFCD22196528
• PubChem SID: 164292069
• PubChem CID: 12035388

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.65724385
• LogD (pH = 7.4): 0.65724385
• Log P: 0.65724385
• Molar Refractivity: 55.7921 cm^3
• Polarizability: 23.321486 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.586

Product Information

• Purity: 95%