Mrv1652306031607102D          

 25 24  0  0  0  0            999 V2000
    4.1250   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -2.1434    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    1.4289    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7145    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
 20  1  1  0  0  0  0
 20  2  1  0  0  0  0
 20 13  1  0  0  0  0
 20 15  1  0  0  0  0
 21  3  1  0  0  0  0
 21  4  1  0  0  0  0
 21 14  1  0  0  0  0
 21 16  1  0  0  0  0
 22  5  1  0  0  0  0
 22  6  1  0  0  0  0
 22 15  1  0  0  0  0
 22 17  1  0  0  0  0
 23  7  1  0  0  0  0
 23  8  1  0  0  0  0
 23 16  1  0  0  0  0
 23 18  1  0  0  0  0
 24  9  1  0  0  0  0
 24 10  1  0  0  0  0
 24 17  1  0  0  0  0
 24 19  1  0  0  0  0
 25 11  1  0  0  0  0
 25 12  1  0  0  0  0
 25 18  1  0  0  0  0
 25 19  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM043692

> <DATABASE_NAME>
chemdb

> <SMILES>
C[Si](C)(O)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C12H38O7Si6/c1-20(2,13)15-22(5,6)17-24(9,10)19-25(11,12)18-23(7,8)16-21(3,4)14/h13-14H,1-12H3

> <INCHI_KEY>
ACOILBOPXXVUQP-UHFFFAOYSA-N

> <FORMULA>
C12H38O7Si6

> <MOLECULAR_WEIGHT>
462.939

> <EXACT_MASS>
462.123312774

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
44.01073945450423

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,4,4,6,6,8,8,10,10,12-decamethyl-3,5,7,9,11-pentaoxa-2,4,6,8,10,12-hexasilatridecane-2,12-diol

> <ALOGPS_LOGP>
3.83

> <JCHEM_LOGP>
-0.19400000000000128

> <ALOGPS_LOGS>
-4.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.651522786593738

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.049462795265784

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3497000602550613

> <JCHEM_POLAR_SURFACE_AREA>
86.61000000000001

> <JCHEM_REFRACTIVITY>
83.22860000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.37e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,4,4,6,6,8,8,10,10,12-decamethyl-3,5,7,9,11-pentaoxa-2,4,6,8,10,12-hexasilatridecane-2,12-diol

> <JCHEM_VEBER_RULE>
0

> <NAME>
1,1,3,3,5,5,7,7,9,9,11,11-Dodecamethylhexasiloxane-1,11-diol

> <CAS>
4029-00-9

$$$$