1-(decane-1-sulfinyl)decane

• ChemBase ID: 111754
• Molecular Formular: C20H42OS
• Molecular Mass: 330.61188
• Monoisotopic Mass: 330.29563696
• SMILES: CCCCCCCCCCS(=O)CCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCS(=O)CCCCCCCCCC
• InChI: InChI=1S/C20H42OS/c1-3-5-7-9-11-13-15-17-19-22(21)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
• InChIKey: WXMZAPNGBZURBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(decane-1-sulfinyl)decane
• IUPAC Traditional name: 1-(decane-1-sulfinyl)decane
• Synonyms: DIDECYL SULFOXIDE

Database IDs

• CAS Number: 2168-95-8
• PubChem SID: 162097169
• PubChem CID: 3092608

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.8791347
• LogD (pH = 7.4): 6.8791347
• Log P: 6.8791347
• Molar Refractivity: 103.629 cm^3
• Polarizability: 41.22664 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05220782

MP Biomedicals Rare Chemical collection