Mrv1652306031606092D          

 45 44  0  0  0  0            999 V2000
   27.6216    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6203    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7460    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9210    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6342    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4592    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4921    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3171    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8881    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0631    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    3.9849    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
   24.7637    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4769    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0493    3.9849    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
   19.7624    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1927    3.5724    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
   21.9059    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
   26.9072    3.9849    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
   22.6203    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
    4.7586    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9072    4.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    3.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4782    3.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1914    3.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3348    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    3.9849    0.0000 O   0  0  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
   13.3322    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6190    4.3974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612    4.3974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1901    3.5724    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
   14.0467    3.9849    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   16.9046    3.9849    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   15.4756    3.9849    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
 14 13  1  0  0  0  0
 17 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 16  1  0  0  0  0
 25  1  1  0  0  0  0
 25 21  1  0  0  0  0
 26  2  1  0  0  0  0
 26 22  1  0  0  0  0
 27  3  1  0  0  0  0
 27 23  1  0  0  0  0
 28  4  1  0  0  0  0
 28 24  1  0  0  0  0
 29 13  1  0  0  0  0
 30 25  1  0  0  0  0
 31 14  1  0  0  0  0
 31 22  1  0  0  0  0
 32 15  1  0  0  0  0
 32 21  1  0  0  0  0
 33 16  1  0  0  0  0
 33 23  1  0  0  0  0
 34 17  1  0  0  0  0
 34 27  1  0  0  0  0
 35 18  1  0  0  0  0
 35 26  1  0  0  0  0
 36 19  1  0  0  0  0
 36 28  1  0  0  0  0
 37 20  1  0  0  0  0
 38 24  1  0  0  0  0
 42  5  1  0  0  0  0
 42  6  1  0  0  0  0
 42 37  1  0  0  0  0
 42 39  1  0  0  0  0
 43  7  1  0  0  0  0
 43  8  1  0  0  0  0
 43 38  1  0  0  0  0
 43 40  1  0  0  0  0
 44  9  1  0  0  0  0
 44 10  1  0  0  0  0
 44 39  1  0  0  0  0
 44 41  1  0  0  0  0
 45 11  1  0  0  0  0
 45 12  1  0  0  0  0
 45 40  1  0  0  0  0
 45 41  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM042753

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(O)COCCOC(C)COCCO[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OCC(C)OCCOC(C)COCCO

> <INCHI_IDENTIFIER>
InChI=1S/C28H66O13Si4/c1-25(30)21-32-15-17-34-27(3)23-33-16-20-37-42(5,6)39-44(9,10)41-45(11,12)40-43(7,8)38-24-28(4)36-19-18-35-26(2)22-31-14-13-29/h25-30H,13-24H2,1-12H3

> <INCHI_KEY>
VKMXBBNKGUYENE-UHFFFAOYSA-N

> <FORMULA>
C28H66O13Si4

> <MOLECULAR_WEIGHT>
723.163

> <EXACT_MASS>
722.358048325

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
111

> <JCHEM_AVERAGE_POLARIZABILITY>
78.11751143595981

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,10,13,13,15,15,17,17,19,19,25-undecamethyl-3,6,9,12,14,16,18,20,23,26,29-undecaoxa-13,15,17,19-tetrasiladotriacontane-1,31-diol

> <ALOGPS_LOGP>
3.81

> <JCHEM_LOGP>
0.05600000000000216

> <ALOGPS_LOGS>
-5.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.308670028626736

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.666034768862946

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7458156717997095

> <JCHEM_POLAR_SURFACE_AREA>
141.99

> <JCHEM_REFRACTIVITY>
162.2308

> <JCHEM_ROTATABLE_BOND_COUNT>
30

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.88e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,10,13,13,15,15,17,17,19,19,25-undecamethyl-3,6,9,12,14,16,18,20,23,26,29-undecaoxa-13,15,17,19-tetrasiladotriacontane-1,31-diol

> <JCHEM_VEBER_RULE>
0

> <NAME>
5,10,13,13,15,15,17,17,19,19,25-undecamethyl-3,6,9,12,14,16,18,20,23,26,29-undecaoxa-13,15,17,19-tetrasiladotriacontane-1,31-diol

> <CAS>
64365-23-7

$$$$