Mrv1652303192001383D          

 16 17  0  0  0  0            999 V2000
   -1.0920   -2.8735    0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2470   -0.2357    1.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8559    0.7448   -0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2835    1.5417    1.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5084   -0.0524    0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7898   -1.0760    0.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0540    1.5994   -0.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6913    0.8653   -0.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3501    1.7343   -1.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4874   -0.7756   -0.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5033   -1.4288    0.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5651    0.2362   -0.9215 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7833   -0.4632   -0.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6624   -0.2038    0.0230 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2788    0.9241   -0.2790 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1352   -1.4672   -0.3277 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  1  0  0  0  0
 15  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  1  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000461

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(C)(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15-/m1/s1

> <INCHI_KEY>
WMOPMQRJLLIEJV-IUODEOHRSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.372

> <EXACT_MASS>
222.198365457

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
27.535622724261643

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(2R,4aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-ol

> <ALOGPS_LOGP>
4.55

> <JCHEM_LOGP>
3.4301364229999995

> <ALOGPS_LOGS>
-3.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.347031670925045

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8974083471373858

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
69.16739999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.19e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
gamma-eudesmol

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000461

> <GENERIC_NAME>
Gamma-Eudesmol

$$$$