Mrv1652302102020362D          

 30 29  0  0  0  0            999 V2000
   -2.7474   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -2.8875    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
    1.1270    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.0625    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
   -2.0329   -0.8250    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -0.8250    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -2.4750    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -2.4750    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 Si  0  0  0  0  0  0  0  0  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
 20 19  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26  1  1  0  0  0  0
 26  2  1  0  0  0  0
 26  3  1  0  0  0  0
 26 21  1  0  0  0  0
 27  4  1  0  0  0  0
 27  5  1  0  0  0  0
 27  6  1  0  0  0  0
 27 22  1  0  0  0  0
 28  7  1  0  0  0  0
 28  8  1  0  0  0  0
 28  9  1  0  0  0  0
 28 23  1  0  0  0  0
 29 10  1  0  0  0  0
 29 11  1  0  0  0  0
 29 12  1  0  0  0  0
 29 24  1  0  0  0  0
 30 13  1  0  0  0  0
 30 14  1  0  0  0  0
 30 15  1  0  0  0  0
 30 25  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0063716

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C20H52O5Si5/c1-26(2,3)21-16-18(23-28(7,8)9)20(25-30(13,14)15)19(24-29(10,11)12)17-22-27(4,5)6/h18-20H,16-17H2,1-15H3

> <INCHI_KEY>
SUZLPERYXSOGNY-UHFFFAOYSA-N

> <FORMULA>
C20H52O5Si5

> <MOLECULAR_WEIGHT>
513.056

> <EXACT_MASS>
512.266107449

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
55.30165223189448

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,2,10,10-tetramethyl-5,6,7-tris[(trimethylsilyl)oxy]-3,9-dioxa-2,10-disilaundecane

> <ALOGPS_LOGP>
5.14

> <JCHEM_LOGP>
7.350600000000002

> <ALOGPS_LOGS>
-6.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.2763494033834033

> <JCHEM_POLAR_SURFACE_AREA>
46.150000000000006

> <JCHEM_REFRACTIVITY>
113.07059999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.36e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,2,10,10-tetramethyl-5,6,7-tris[(trimethylsilyl)oxy]-3,9-dioxa-2,10-disilaundecane

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0063716

> <GENERIC_NAME>
Xylitol (5TMS)

$$$$