4,4,13,13-tetraethoxy-3,14-dioxa-8,9-dithia-4,13-disilahexadecane

• ChemBase ID: 180117
• Molecular Formular: C18H42O6S2Si2
• Molecular Mass: 474.82348
• Monoisotopic Mass: 474.19613413
• SMILES: S(SCCC[Si](OCC)(OCC)OCC)CCC[Si](OCC)(OCC)OCC
• Canonical SMILES: CCO[Si](OCC)(OCC)CCCSSCCC[Si](OCC)(OCC)OCC
• InChI: InChI=1S/C18H42O6S2Si2/c1-7-19-27(20-8-2,21-9-3)17-13-15-25-26-16-14-18-28(22-10-4,23-11-5)24-12-6/h7-18H2,1-6H3
• InChIKey: FBBATURSCRIBHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,13,13-tetraethoxy-3,14-dioxa-8,9-dithia-4,13-disilahexadecane
• IUPAC Traditional name: 4,4,13,13-tetraethoxy-3,14-dioxa-8,9-dithia-4,13-disilahexadecane
• Synonyms: Bis[3-(triethoxysilyl)propyl]disulfide

Database IDs

• CAS Number: 56706-10-6
• PubChem SID: 164236027
• PubChem CID: 92506

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.2172
• LogD (pH = 7.4): 4.2172
• Log P: 4.2172
• Molar Refractivity: 114.5556 cm^3
• Polarizability: 50.11494 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: true