2,10-dimethyl-3,3,9,9-tetrakis(propan-2-yl)-6-{[tris(propan-2-yl)silyl]oxy}(5,5,6,7,7-2H5)-4,8-dioxa-3,9-disilaundecane

• ChemBase ID: 179296
• Molecular Formular: C30H68O3Si3
• Molecular Mass: 561.11562
• Monoisotopic Mass: 560.44762563
• SMILES: O(CC(CO[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C
• Canonical SMILES: CC([Si](C(C)C)(C(C)C)OC(CO[Si](C(C)C)(C(C)C)C(C)C)CO[Si](C(C)C)(C(C)C)C(C)C)C
• InChI: InChI=1S/C30H68O3Si3/c1-21(2)34(22(3)4,23(5)6)31-19-30(33-36(27(13)14,28(15)16)29(17)18)20-32-35(24(7)8,25(9)10)26(11)12/h21-30H,19-20H2,1-18H3
• InChIKey: DTDBKBUDBOGWQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,10-dimethyl-3,3,9,9-tetrakis(propan-2-yl)-6-{[tris(propan-2-yl)silyl]oxy}(5,5,6,7,7-^2H₅)-4,8-dioxa-3,9-disilaundecane
• IUPAC Traditional name: 3,3,9,9-tetraisopropyl-2,10-dimethyl-6-[(triisopropylsilyl)oxy](5,5,6,7,7-^2H₅)-4,8-dioxa-3,9-disilaundecane
• Synonyms: 1,2,3-O-Tris(triisopropyl) 1,2,3-Propanetriol-d5; 1,2,3-O-Tris(triisopropyl) 1,3-Dihydroxy-2-propanol-d5; 1,2,3-O-Tris(triisopropyl) Propanetriol-d5; 1,2,3-O-Tris(triisopropyl) 1,2,3-Propane-1,1,2,3,3-d5-triol; 1,2,3-O-Tris(triisopropyl) 1,2,3-Trihydroxypropane-d5; 1,2,3-O-Tris(triisopropyl) Bulbold-d5; 1,2,3-O-Tris(triisopropyl) Cognis G-d5; 1,2,3-O-Tris(triisopropyl) Cristal-d5; 1,2,3-O-Tris(triisopropyl) DG Glycerin-d5; 1,2,3-O-Tris(triisopropyl) Trihydroxypropane-d5; 1,2,3-O-Tris(triisopropyl) Glycerol-d5

Database IDs

• PubChem SID: 164235206
• PubChem CID: 71752855

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 10.5918
• LogD (pH = 7.4): 10.5918
• Log P: 10.5918
• Molar Refractivity: 150.9 cm^3
• Polarizability: 66.869225 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: Clear Colourless Oil

DETAILS

Toronto Research Chemicals - T886402

Protected, labelled Glycerol (G598402).