2,2,4-trimethyl-4-[(2,4,4-trimethylpentan-2-yl)disulfanyl]pentane

• ChemBase ID: 109227
• Molecular Formular: C16H34S2
• Molecular Mass: 290.57116
• Monoisotopic Mass: 290.21019309
• SMILES: CC(C)(C)CC(C)(C)SSC(C)(C)CC(C)(C)C
• Canonical SMILES: CC(CC(C)(C)C)(SSC(CC(C)(C)C)(C)C)C
• InChI: InChI=1S/C16H34S2/c1-13(2,3)11-15(7,8)17-18-16(9,10)12-14(4,5)6/h11-12H2,1-10H3
• InChIKey: ZIMCZOLRXKPXLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,4-trimethyl-4-[(2,4,4-trimethylpentan-2-yl)disulfanyl]pentane
• IUPAC Traditional name: 2,2,4-trimethyl-4-[(2,4,4-trimethylpentan-2-yl)disulfanyl]pentane
• Synonyms: DI-tert-OCTYL DISULFIDE

Database IDs

• PubChem SID: 162106279
• PubChem CID: 121601

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.4115443
• LogD (pH = 7.4): 6.4115443
• Log P: 6.4115443
• Molar Refractivity: 90.889 cm^3
• Polarizability: 36.42845 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05210279

MP Biomedicals Rare Chemical collection