Mrv1652304272018522D          

 18 19  0  0  0  0            999 V2000
   -1.5395   -1.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1106   -1.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -2.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1106    3.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    2.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    2.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 17  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 18  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB005757

> <DATABASE_NAME>
CDB

> <SMILES>
CC(C)(C)C1=CC2=CC=C(C=C2C=C1)C(C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C18H24/c1-17(2,3)15-9-7-14-12-16(18(4,5)6)10-8-13(14)11-15/h7-12H,1-6H3

> <INCHI_KEY>
TZGXZNWUOXLMFL-UHFFFAOYSA-N

> <FORMULA>
C18H24

> <MOLECULAR_WEIGHT>
240.39

> <EXACT_MASS>
240.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
30.833409059043067

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,6-di-tert-butylnaphthalene

> <ALOGPS_LOGP>
6.88

> <JCHEM_LOGP>
6.0528351140000005

> <ALOGPS_LOGS>
-6.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
79.84

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.27e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,6-di-tert-butylnaphthalene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB005757

> <GENERIC_NAME>
2,6-Diterbutylnaphthalene

$$$$