1-(octyldisulfanyl)octane

• ChemBase ID: 107732
• Molecular Formular: C16H34S2
• Molecular Mass: 290.57116
• Monoisotopic Mass: 290.21019309
• SMILES: CCCCCCCCSSCCCCCCCC
• Canonical SMILES: CCCCCCCCSSCCCCCCCC
• InChI: InChI=1S/C16H34S2/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
• InChIKey: AROCLDYPZXMJPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(octyldisulfanyl)octane
• IUPAC Traditional name: 1-(octyldisulfanyl)octane
• Synonyms: DI-n-OCTYL DISULFIDE

Database IDs

• CAS Number: 822-27-5
• EC Number: 212-494-7
• PubChem SID: 162095103
• PubChem CID: 69970

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.5029545
• LogD (pH = 7.4): 7.5029545
• Log P: 7.5029545
• Molar Refractivity: 91.6468 cm^3
• Polarizability: 36.423916 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false