Mrv1652306031609052D          

 18 19  0  0  0  0            999 V2000
    5.1118    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  2  0  0  0  0
 16 14  1  0  0  0  0
 17  1  1  0  0  0  0
 17  2  1  0  0  0  0
 17 15  1  0  0  0  0
 18  3  1  0  0  0  0
 18  4  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM010768

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)(C1=CC=CC=C1)C(C)(C)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H22/c1-17(2,15-11-7-5-8-12-15)18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3

> <INCHI_KEY>
HGTUJZTUQFXBIH-UHFFFAOYSA-N

> <FORMULA>
C18H22

> <MOLECULAR_WEIGHT>
238.374

> <EXACT_MASS>
238.172150708

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
28.590215174062365

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2,3-dimethyl-3-phenylbutan-2-yl)benzene

> <ALOGPS_LOGP>
6.20

> <JCHEM_LOGP>
5.683740940666667

> <ALOGPS_LOGS>
-6.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
78.4436

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.31e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2,3-dimethyl-3-phenylbutan-2-yl)benzene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-

> <CAS>
1889-67-4

> <SYNONYMS>
1,1'-(1,1,2,2-tetramethylethylene)dibenzene

$$$$