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M  END
> <DATABASE_ID>
CHEM009180

> <DATABASE_NAME>
chemdb

> <SMILES>
COCCOCCOCCOCCOCCOB(OCCOCCOCCOCCOCCOC)OCCOCCOCCOCCOCCOC

> <INCHI_IDENTIFIER>
InChI=1S/C33H69BO18/c1-35-4-7-38-10-13-41-16-19-44-22-25-47-28-31-50-34(51-32-29-48-26-23-45-20-17-42-14-11-39-8-5-36-2)52-33-30-49-27-24-46-21-18-43-15-12-40-9-6-37-3/h4-33H2,1-3H3

> <INCHI_KEY>
SZFXLVWXFDHTLT-UHFFFAOYSA-N

> <FORMULA>
C33H69BO18

> <MOLECULAR_WEIGHT>
764.71

> <EXACT_MASS>
764.457695

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_ATOM_COUNT>
121

> <JCHEM_AVERAGE_POLARIZABILITY>
91.76379702686361

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tris(2,5,8,11,14-pentaoxahexadecan-16-yl) borate

> <ALOGPS_LOGP>
-0.30

> <JCHEM_LOGP>
-0.7969000000000017

> <ALOGPS_LOGS>
-4.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.2369227759963137

> <JCHEM_POLAR_SURFACE_AREA>
166.14

> <JCHEM_REFRACTIVITY>
186.79319999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
48

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.93e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tris(2,5,8,11,14-pentaoxahexadecan-16-yl) borate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Poly(oxy-1,2-ethanediyl), .alpha.-methyl-.omega.-hydroxy-, ester with boric acid (H3BO3)

> <CAS>
106008-94-0

$$$$