2,2,11,11-tetramethyl-5,6,7,8-tetrakis[(trimethylsilyl)oxy]-3,10-dioxa-2,11-disiladodecane

• ChemBase ID: 133467
• Molecular Formular: C24H62O6Si6
• Molecular Mass: 615.25848
• Monoisotopic Mass: 614.3161989
• SMILES: C[Si](C)(C)OCC(C(C(C(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: C[Si](OC(C(C(O[Si](C)(C)C)CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)CO[Si](C)(C)C)(C)C
• InChI: InChI=1S/C24H62O6Si6/c1-31(2,3)25-19-21(27-33(7,8)9)23(29-35(13,14)15)24(30-36(16,17)18)22(28-34(10,11)12)20-26-32(4,5)6/h21-24H,19-20H2,1-18H3
• InChIKey: USBJDBWAPKNPCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,11,11-tetramethyl-5,6,7,8-tetrakis[(trimethylsilyl)oxy]-3,10-dioxa-2,11-disiladodecane
• IUPAC Traditional name: 2,2,11,11-tetramethyl-5,6,7,8-tetrakis[(trimethylsilyl)oxy]-3,10-dioxa-2,11-disiladodecane
• Synonyms: Trimethylsilyl-D-(+)-mannitol

Database IDs

• CAS Number: 14317-07-8
• MDL Number: MFCD00171723
• PubChem SID: 24900395; 162227744
• PubChem CID: 518921

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 8.8134
• LogD (pH = 7.4): 8.8134
• Log P: 8.8134
• Molar Refractivity: 135.159 cm^3
• Polarizability: 66.71582 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: 2-8°C