Mrv1652306031607532D          

 30 29  0  0  0  0            999 V2000
   -0.5526    1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3052    2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8408    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5388    3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7138    1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6809    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5539    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9829    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2849    3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1099    1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6809    3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8395    2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6961    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9816    2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5539    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1618    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5526    2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5908    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5908    3.6829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105    2.4454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2671    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763    2.4454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4118    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8559    1.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9829    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1263    2.4454    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -6.2684    1.0164    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -7.6974    2.4454    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -6.2684    2.4454    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
 13 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 18  1  1  0  0  0  0
 18 17  1  0  0  0  0
 19  2  1  0  0  0  0
 20 19  2  0  0  0  0
 21 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 22 18  1  0  0  0  0
 23 17  1  0  0  0  0
 23 19  1  0  0  0  0
 27  3  1  0  0  0  0
 27  4  1  0  0  0  0
 27  5  1  0  0  0  0
 27 24  1  0  0  0  0
 28  6  1  0  0  0  0
 28  7  1  0  0  0  0
 28  8  1  0  0  0  0
 28 25  1  0  0  0  0
 29  9  1  0  0  0  0
 29 10  1  0  0  0  0
 29 24  1  0  0  0  0
 29 26  1  0  0  0  0
 30 11  1  0  0  0  0
 30 16  1  0  0  0  0
 30 25  1  0  0  0  0
 30 26  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044222

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(COC(C)=O)OCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C19H46O7Si4/c1-18(17-23-19(2)20)22-15-14-21-13-12-16-30(11,25-28(6,7)8)26-29(9,10)24-27(3,4)5/h18H,12-17H2,1-11H3

> <INCHI_KEY>
CAUQMHXYANAMBN-UHFFFAOYSA-N

> <FORMULA>
C19H46O7Si4

> <MOLECULAR_WEIGHT>
498.91

> <EXACT_MASS>
498.232059961

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
53.45224140540891

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,2,4,4,6,14-hexamethyl-6-[(trimethylsilyl)oxy]-3,5,10,13-tetraoxa-2,4,6-trisilapentadecan-15-yl acetate

> <ALOGPS_LOGP>
5.02

> <JCHEM_LOGP>
3.2971999999999992

> <ALOGPS_LOGS>
-6.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3115834203697783

> <JCHEM_POLAR_SURFACE_AREA>
72.45000000000002

> <JCHEM_REFRACTIVITY>
109.24599999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.21e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,2,4,4,6,14-hexamethyl-6-[(trimethylsilyl)oxy]-3,5,10,13-tetraoxa-2,4,6-trisilapentadecan-15-yl acetate

> <JCHEM_VEBER_RULE>
0

> <NAME>
2,2,4,4,6,14-hexamethyl-6-[(trimethylsilyl)oxy]-3,5,10,13-tetraoxa-2,4,6-trisilapentadecan-15-yl acetate

> <CAS>
126581-51-9

$$$$