Mrv0541 05061309202D          

 15 18  0  0  0  0            999 V2000
   -0.8246   -0.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1362    1.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8665    2.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0246    2.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6417    1.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1097    1.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5127    0.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9676    0.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3086    0.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5711    0.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1418    0.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4186    0.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6530    1.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7348    1.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6050    1.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0  0  0  0
  9  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13  2  1  0  0  0  0
 13  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  1  0  0  0  0
 14  6  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  1  0  0  0  0
 15 11  1  0  0  0  0
 15 12  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM030457

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1CCC2(C)C3(C)C4CC2(C)C1CC34

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-9-5-6-14(3)13(2)8-12-11(7-10(9)13)15(12,14)4/h9-12H,5-8H2,1-4H3

> <INCHI_KEY>
XPWRIXBORAHMCD-UHFFFAOYSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.3511

> <EXACT_MASS>
204.187800768

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
25.36127226895207

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane

> <ALOGPS_LOGP>
4.47

> <JCHEM_LOGP>
3.740940651333333

> <ALOGPS_LOGS>
-5.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
62.8639

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.16e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Cycloseychellene

> <CAS>
52617-34-2

$$$$