Mrv1652306031606572D          

 19 20  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6131    4.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737    4.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5757   -0.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0454    0.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 11  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  1  0  0  0  0
 12  6  1  0  0  0  0
 12  8  1  0  0  0  0
 15  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19 13  1  0  0  0  0
 19 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM043475

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1CC(C)(C)OB(OB2OC(C)CC(C)(C)O2)O1

> <INCHI_IDENTIFIER>
InChI=1S/C12H24B2O5/c1-9-7-11(3,4)17-13(15-9)19-14-16-10(2)8-12(5,6)18-14/h9-10H,7-8H2,1-6H3

> <INCHI_KEY>
KUZYYSNLEIAJQJ-UHFFFAOYSA-N

> <FORMULA>
C12H24B2O5

> <MOLECULAR_WEIGHT>
269.94

> <EXACT_MASS>
270.180984

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
30.94379288992616

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4,4,6-trimethyl-2-[(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)oxy]-1,3,2-dioxaborinane

> <ALOGPS_LOGP>
3.97

> <JCHEM_LOGP>
4.795400000000001

> <ALOGPS_LOGS>
-2.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.475208155294817

> <JCHEM_POLAR_SURFACE_AREA>
46.150000000000006

> <JCHEM_REFRACTIVITY>
62.2822

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.46e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,4,6-trimethyl-2-[(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)oxy]-1,3,2-dioxaborinane

> <JCHEM_VEBER_RULE>
0

> <NAME>
2,2′-oxybis[4,4,6-trimethyl-1,3,2-dioxaborinane]

> <CAS>
14697-50-8

$$$$