2,2,8,8-tetramethyl-5-[(trimethylsilyl)oxy]-3,7-dioxa-2,8-disilanonane

• ChemBase ID: 131506
• Molecular Formular: C12H32O3Si3
• Molecular Mass: 308.63718
• Monoisotopic Mass: 308.16592448
• SMILES: C[Si](C)(C)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: C[Si](OC(CO[Si](C)(C)C)CO[Si](C)(C)C)(C)C
• InChI: InChI=1S/C12H32O3Si3/c1-16(2,3)13-10-12(15-18(7,8)9)11-14-17(4,5)6/h12H,10-11H2,1-9H3
• InChIKey: JQUGYGVCECHKBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,8,8-tetramethyl-5-[(trimethylsilyl)oxy]-3,7-dioxa-2,8-disilanonane
• IUPAC Traditional name: 2,2,8,8-tetramethyl-5-[(trimethylsilyl)oxy]-3,7-dioxa-2,8-disilanonane
• Synonyms: Trimethylsilylglycerol

Database IDs

• CAS Number: 6787-10-6
• MDL Number: MFCD00171728
• PubChem SID: 162225784
• PubChem CID: 522285

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.425
• LogD (pH = 7.4): 4.425
• Log P: 4.425
• Molar Refractivity: 68.8938 cm^3
• Polarizability: 33.71874 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: clear, colorless

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C