Mrv1718005091818362D          

 18 17  0  0  0  0            999 V2000
    1.4009    0.7146    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.8205    1.4329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1192    0.3022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897    1.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9956    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1706    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6526    1.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375    0.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0284    0.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2489   -0.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0739   -0.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0579    2.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5558    0.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7395    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4864   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3111   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7309   -2.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5558   -2.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <DATABASE_ID>
DB11267

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCCCCC[Si](OCC)(OCC)OCC

> <INCHI_IDENTIFIER>
InChI=1S/C14H32O3Si/c1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4/h5-14H2,1-4H3

> <INCHI_KEY>
MSRJTTSHWYDFIU-UHFFFAOYSA-N

> <FORMULA>
C14H32O3Si

> <MOLECULAR_WEIGHT>
276.492

> <EXACT_MASS>
276.212071425

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
34.0148535886415

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
triethoxy(octyl)silane

> <ALOGPS_LOGP>
5.89

> <JCHEM_LOGP>
4.4215

> <ALOGPS_LOGS>
-5.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7803873192234323

> <JCHEM_POLAR_SURFACE_AREA>
27.69

> <JCHEM_REFRACTIVITY>
73.11319999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.22e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
silane, triethoxyoctyl-

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11267

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Triethoxycaprylylsilane

> <SYNONYMS>
Caprylyltriethoxysilane; n-Octyltriethoxysilane; Octyl(triethoxy)silane; Octyltriethoxysilane; Triethoxyoctylsilane

> <PRODUCTS>
Isaknox Ageless Serum Blemish Balm

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