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[ CAS No. 69655-76-1 ] {[proInfo.proName]}

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Chemical Structure| 69655-76-1
Chemical Structure| 69655-76-1
Structure of 69655-76-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 69655-76-1 ]

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Product Details of [ 69655-76-1 ]

CAS No. :69655-76-1 MDL No. :MFCD24450214
Formula : C16H24O12Si8 Boiling Point : No data available
Linear Structure Formula :- InChI Key :ZWCNRMDCQDJIRL-UHFFFAOYSA-N
M.W : 633.04 Pubchem ID :144364
Synonyms :

Calculated chemistry of [ 69655-76-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 36
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.0
Num. rotatable bonds : 8
Num. H-bond acceptors : 12.0
Num. H-bond donors : 0.0
Molar Refractivity : 140.63
TPSA : 110.76 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.52 cm/s

Lipophilicity

Log Po/w (iLOGP) : 5.84
Log Po/w (XLOGP3) : 7.95
Log Po/w (WLOGP) : 1.57
Log Po/w (MLOGP) : -5.66
Log Po/w (SILICOS-IT) : -8.06
Consensus Log Po/w : 0.33

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 3.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -8.25
Solubility : 0.0000036 mg/ml ; 0.0000000057 mol/l
Class : Poorly soluble
Log S (Ali) : -10.13
Solubility : 0.0000000473 mg/ml ; 0.0000000001 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -0.79
Solubility : 104.0 mg/ml ; 0.164 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 8.11

Safety of [ 69655-76-1 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 69655-76-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 69655-76-1 ]

[ 69655-76-1 ] Synthesis Path-Downstream   1~12

  • 1
  • [ 75-94-5 ]
  • [ 69655-76-1 ]
  • 2
  • [ 75-79-6 ]
  • [ 75-94-5 ]
  • [ 17865-85-9 ]
  • [ 69655-76-1 ]
  • C9H24O12Si8 [ No CAS ]
  • C11H24O12Si8 [ No CAS ]
  • C15H24O12Si8 [ No CAS ]
  • 3
  • [ 4253-34-3 ]
  • [ 4130-08-9 ]
  • [ 17865-85-9 ]
  • [ 69655-76-1 ]
  • [ 64-19-7 ]
  • C9H24O12Si8 [ No CAS ]
  • C10H24O12Si8 [ No CAS ]
  • C15H24O12Si8 [ No CAS ]
  • 4
  • [ 77-73-6 ]
  • [ 69655-76-1 ]
  • pernorbornenyloctasilasesquioxane [ No CAS ]
  • 8
  • [ 69655-76-1 ]
  • [ 71-43-2 ]
  • perphenetyloctasilsesquioxane [ No CAS ]
  • 10
  • [ 75-94-5 ]
  • [ 69655-76-1 ]
  • C16H25ClO12Si8 [ No CAS ]
  • C21H34O14Si9 [ No CAS ]
  • C20H31ClO15Si10 [ No CAS ]
  • C22H36O16Si10 [ No CAS ]
  • 11
  • [ 75-94-5 ]
  • [ 67-63-0 ]
  • [ 69655-76-1 ]
  • C21H34O14Si9 [ No CAS ]
  • 12
  • [ 78-08-0 ]
  • [ 69655-76-1 ]
YieldReaction ConditionsOperation in experiment
51% With potassium hydroxide; In ethanol; water; at 20℃; Triethoxyvinylsilane (l lg, 0.058 mol) was dissolved in 30 mL of EtOH at room temperature followed by the addition of 2.0 ml of aqueous KOH solution (lOmg/ml). The reaction mixture was stirred for overnight at RT. The next day a white precipitate was filtered off and dried in-vacuo to provide 2.3g of white solid. (51percent). Obtained white solid/ or commercially available octavinyl-T8-silsesquioxane (5.0 g, 7.9 mmol, 1 eq) and triethoxysilane (10.4 g, 0.063 mol, 8 eq) were dissolved in anhydrous toluene (40 mL) and purged under Argon for 30 minutes. Then, catalytic amount of Pt(dvs) (25 muEpsilon) was added to the reaction mixture and heated up to 80 °C for overnight. The solution was filtered through silica to remove excess starting material. The organic filtrate is dried in-vacuo. Obtained pale yellow oil. Yield: 1 1.8 g (79percent). (0169) [00106] MR (CDCb, 500 MHz): delta 0.63-0.66 (t, 32H), 1.20-1.23 (t, 72H), 3.78-3.81 (d, 48H), 13C NMR (CDCb, 120 MHz): 1.61 (8C), 3.35 (8C), 18.27 (24C), 58.32 (24C).
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Technical Information

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