Mrv1652306031606582D          

 27 26  0  0  0  0            999 V2000
    5.4730    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8881    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0631    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7624    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0960    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5710    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9046    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1901    4.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6190    4.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4756    3.9849    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   19.0480    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9210    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7460    4.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3335    3.9849    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 19  1  0  0  0  0
 23  2  1  0  0  0  0
 23  3  1  0  0  0  0
 23 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24  4  1  0  0  0  0
 25  5  1  0  0  0  0
 26  6  1  0  0  0  0
 27 22  1  0  0  0  0
 27 24  1  0  0  0  0
 27 25  1  0  0  0  0
 27 26  1  0  0  0  0
M  CHG  1  23   1
M  END
> <DATABASE_ID>
CHEM043487

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC

> <INCHI_IDENTIFIER>
InChI=1S/C22H50NO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-20-23(2,3)21-19-22-27(24-4,25-5)26-6/h7-22H2,1-6H3/q+1

> <INCHI_KEY>
HHHSDHBVFQHIPK-UHFFFAOYSA-N

> <FORMULA>
C22H50NO3Si

> <MOLECULAR_WEIGHT>
404.73

> <EXACT_MASS>
404.355447429

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
51.73457452555738

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dimethyl(tetradecyl)[3-(trimethoxysilyl)propyl]azanium

> <ALOGPS_LOGP>
3.68

> <JCHEM_LOGP>
1.2275258085282563

> <ALOGPS_LOGS>
-7.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
-3.759579113112578

> <JCHEM_POLAR_SURFACE_AREA>
27.69

> <JCHEM_REFRACTIVITY>
125.27149999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.62e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dimethyl(tetradecyl)[3-(trimethoxysilyl)propyl]azanium

> <JCHEM_VEBER_RULE>
0

> <NAME>
Dimethyltetradecyl[3-(trimethoxysilyl)propyl]ammonium

> <CAS>
41591-87-1

$$$$