32241
  Mrv0541 12191221052D          

 36 37  0  0  0  0            999 V2000
    6.7058    0.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2453    0.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929   -0.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2453   -0.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219    0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7026    1.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1477    1.0925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.3235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2395    1.3551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4348   -0.6971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6360    0.6583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2395   -1.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.3265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8529   -1.6600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.1715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8760   -1.6600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9058    0.0205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2071   -0.1667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3942   -0.8654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2140    1.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7006    2.1715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1911    1.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1678   -0.0187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8658    0.1712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6759    0.8692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4  7  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  2  0  0  0  0
  9 21  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM017454

> <DATABASE_NAME>
chemdb

> <SMILES>
[H]C1=C([H])C(=C([H])C2=C1C([H])=C(C([H])=C2[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3

> <INCHI_KEY>
GWLLTEXUIOFAFE-UHFFFAOYSA-N

> <FORMULA>
C16H20

> <MOLECULAR_WEIGHT>
212.33

> <EXACT_MASS>
212.15650064

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
26.964588225431385

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,6-bis(propan-2-yl)naphthalene

> <ALOGPS_LOGP>
5.70

> <JCHEM_LOGP>
5.452740874

> <ALOGPS_LOGS>
-6.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
70.88980000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.47e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
DIPN

> <JCHEM_VEBER_RULE>
1

> <NAME>
2,6-Diisopropylnaphthalene

> <CAS>
24157-81-1

> <SYNONYMS>
2,6-bis(propan-2-yl)naphthalene

$$$$