4,4,12,12-tetraethoxy-3,13-dioxa-8-aza-4,12-disilapentadecane

• ChemBase ID: 287093
• Molecular Formular: C18H43NO6Si2
• Molecular Mass: 425.70812
• Monoisotopic Mass: 425.26289117
• SMILES: CCO[Si](CCCNCCC[Si](OCC)(OCC)OCC)(OCC)OCC
• Canonical SMILES: CCO[Si](OCC)(OCC)CCCNCCC[Si](OCC)(OCC)OCC
• InChI: InChI=1S/C18H43NO6Si2/c1-7-20-26(21-8-2,22-9-3)17-13-15-19-16-14-18-27(23-10-4,24-11-5)25-12-6/h19H,7-18H2,1-6H3
• InChIKey: RWLDCNACDPTRMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,12,12-tetraethoxy-3,13-dioxa-8-aza-4,12-disilapentadecane
• IUPAC Traditional name: 4,4,12,12-tetraethoxy-3,13-dioxa-8-aza-4,12-disilapentadecane
• Synonyms: Bis(3-(triethoxysilyl)propyl)amine

Database IDs

• CAS Number: 13497-18-2
• MDL Number: MFCD00053750
• PubChem SID: 180672624
• PubChem CID: 83535

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -0.75436294
• LogD (pH = 7.4): 0.22966419
• Log P: 2.8019
• Molar Refractivity: 102.1574 cm^3
• Polarizability: 45.47046 Å^3
• Polar Surface Area: 67.41 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%