Mrv0541 05061309052D          

 18 18  0  0  0  0            999 V2000
    2.8997    6.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2316    6.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6923    6.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4389    5.7750    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
    5.0795    6.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6739    5.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4666    5.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0610    5.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0242    3.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8537    5.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2224    4.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2316    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4482    4.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279    4.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6371    3.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2408    4.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8353    4.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  4  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM030080

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCC(CC)C1CCCCC1

> <INCHI_IDENTIFIER>
InChI=1S/C18H36/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h17-18H,3-16H2,1-2H3

> <INCHI_KEY>
ZDMYCNLANBQLOI-UHFFFAOYSA-N

> <FORMULA>
C18H36

> <MOLECULAR_WEIGHT>
252.4784

> <EXACT_MASS>
252.281701152

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
35.39829347292772

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dodecan-3-ylcyclohexane

> <ALOGPS_LOGP>
8.42

> <JCHEM_LOGP>
7.687136832666665

> <ALOGPS_LOGS>
-7.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
82.71319999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.19e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dodecan-3-ylcyclohexane

> <JCHEM_VEBER_RULE>
1

> <NAME>
3-Cyclohexyldodecane

> <CAS>
13151-83-2

$$$$