Mrv1572004221603582D          

 33 31  0  0  0  0            999 V2000
    7.4928    0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7967    0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7605    1.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8895   -2.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3184   -1.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5395   -1.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7783    0.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0822    1.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0638    0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3677    0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3493    0.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6532    1.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6349    0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9388    0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9204    0.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2243    1.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2059    0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5098    0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4915    0.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7954    1.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7770    0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0809    0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8895   -0.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    0.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3664    1.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0645   -0.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020   -0.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3480    0.6028    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4770   -2.2550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6039   -1.9531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -1.1281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8895   -1.5406    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    9.8499    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  1  0  0  0  0
 27 23  1  0  0  0  0
 28  3  1  0  0  0  0
 28 24  1  0  0  0  0
 28 25  1  0  0  0  0
 28 26  1  0  0  0  0
 29  4  1  0  0  0  0
 30  5  1  0  0  0  0
 31  6  1  0  0  0  0
 32 27  1  0  0  0  0
 32 29  1  0  0  0  0
 32 30  1  0  0  0  0
 32 31  1  0  0  0  0
M  CHG  2  28   1  33  -1
M  END
> <DATABASE_ID>
CHEM017460

> <DATABASE_NAME>
chemdb

> <SMILES>
[Cl-].CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC

> <INCHI_IDENTIFIER>
InChI=1S/C27H60NO3Si.ClH/c1-7-9-11-13-15-17-19-21-24-28(3,25-22-20-18-16-14-12-10-8-2)26-23-27-32(29-4,30-5)31-6;/h7-27H2,1-6H3;1H/q+1;/p-1

> <INCHI_KEY>
AXPYABZPAWSUMG-UHFFFAOYSA-M

> <FORMULA>
C27H60ClNO3Si

> <MOLECULAR_WEIGHT>
510.32

> <EXACT_MASS>
509.403099

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
93

> <JCHEM_AVERAGE_POLARIZABILITY>
62.23875381107556

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(decyl)(methyl)[3-(trimethoxysilyl)propyl]azanium chloride

> <ALOGPS_LOGP>
5.13

> <JCHEM_LOGP>
3.227525808528254

> <ALOGPS_LOGS>
-8.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7595791131295226

> <JCHEM_POLAR_SURFACE_AREA>
27.69

> <JCHEM_REFRACTIVITY>
148.34709999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
25

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.62e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
bis(decyl)(methyl)[3-(trimethoxysilyl)propyl]azanium chloride

> <JCHEM_VEBER_RULE>
0

> <NAME>
Disiquonium chloride

> <CAS>
68959-20-6

> <SYNONYMS>
bis(decyl)(methyl)[3-(trimethoxysilyl)propyl]azanium chloride; Didecylmethyl[3-(trimethoxysilyl)propyl]ammonium

$$$$