Mrv1652306031607532D          

 37 36  0  0  0  0            999 V2000
   -5.7750    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9500    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9500    3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -2.0329    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
   -2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -2.5559    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
   -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
    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
   -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
    0.5230   -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
    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
   -4.1250    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -2.8579    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
    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
   -4.9500    2.8579    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -2.8579    0.0000 Si  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
    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
 29  1  1  0  0  0  0
 29  2  1  0  0  0  0
 29  3  1  0  0  0  0
 29 21  1  0  0  0  0
 30  4  1  0  0  0  0
 30  5  1  0  0  0  0
 30  6  1  0  0  0  0
 30 22  1  0  0  0  0
 31  7  1  0  0  0  0
 31  8  1  0  0  0  0
 31 21  1  0  0  0  0
 31 23  1  0  0  0  0
 32  9  1  0  0  0  0
 32 10  1  0  0  0  0
 32 22  1  0  0  0  0
 32 24  1  0  0  0  0
 33 11  1  0  0  0  0
 33 12  1  0  0  0  0
 33 23  1  0  0  0  0
 33 25  1  0  0  0  0
 34 13  1  0  0  0  0
 34 14  1  0  0  0  0
 34 24  1  0  0  0  0
 34 26  1  0  0  0  0
 35 15  1  0  0  0  0
 35 16  1  0  0  0  0
 35 25  1  0  0  0  0
 35 27  1  0  0  0  0
 36 17  1  0  0  0  0
 36 18  1  0  0  0  0
 36 26  1  0  0  0  0
 36 28  1  0  0  0  0
 37 19  1  0  0  0  0
 37 20  1  0  0  0  0
 37 27  1  0  0  0  0
 37 28  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044213

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C20H60O8Si9/c1-29(2,3)21-31(7,8)23-33(11,12)25-35(15,16)27-37(19,20)28-36(17,18)26-34(13,14)24-32(9,10)22-30(4,5)6/h1-20H3

> <INCHI_KEY>
XVNZQBSRKFXKSM-UHFFFAOYSA-N

> <FORMULA>
C20H60O8Si9

> <MOLECULAR_WEIGHT>
681.457

> <EXACT_MASS>
680.221157707

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
97

> <JCHEM_AVERAGE_POLARIZABILITY>
68.1828558059168

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18-octadecamethyl-3,5,7,9,11,13,15,17-octaoxa-2,4,6,8,10,12,14,16,18-nonasilanonadecane

> <ALOGPS_LOGP>
5.87

> <JCHEM_LOGP>
4.369

> <ALOGPS_LOGS>
-6.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0986874410344

> <JCHEM_POLAR_SURFACE_AREA>
73.84000000000002

> <JCHEM_REFRACTIVITY>
128.72200000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.66e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
nonasiloxane, eicosamethyl-

> <JCHEM_VEBER_RULE>
0

> <NAME>
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18-octadecamethyl-3,5,7,9,11,13,15,17-octaoxa-2,4,6,8,10,12,14,16,18-nonasilanonadecane

> <CAS>
2652-13-3

$$$$