Mrv1652306031609272D          

  9  9  0  0  0  0            999 V2000
    1.6477    1.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9889    0.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1198    1.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0157    1.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  8  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
  9  7  1  0  0  0  0
M  RAD  1   7   2
M  END
> <DATABASE_ID>
CHEM045574

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1(C)O[B]OC1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C6H12BO2/c1-5(2)6(3,4)9-7-8-5/h1-4H3

> <INCHI_KEY>
LZPWAYBEOJRFAX-UHFFFAOYSA-N

> <FORMULA>
C6H12BO2

> <MOLECULAR_WEIGHT>
126.97

> <EXACT_MASS>
127.093035

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
14.213715034148937

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetramethyl-1,3,2-dioxaborolan-2-yl

> <ALOGPS_LOGP>
2.09

> <JCHEM_LOGP>
1.519

> <ALOGPS_LOGS>
-0.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.654570001215575

> <JCHEM_POLAR_SURFACE_AREA>
18.46

> <JCHEM_REFRACTIVITY>
30.238800000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.46e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetramethyl-1,3,2-dioxaborolan-2-yl

> <JCHEM_VEBER_RULE>
1

> <NAME>
4,4,5,5-Tetramethyl-1,3,2-dioxaborolane

> <CAS>
25015-63-8

$$$$