Mrv0541 02241219292D          

 16 17  0  0  0  0            999 V2000
   -0.0824    0.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7426    0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7426   -0.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004   -0.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6600   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4037   -0.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4037   -1.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1468   -0.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1468    0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4857    0.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6600    0.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7426    1.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1468   -1.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4037   -0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8993    0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0736   -1.3627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB020791

> <DATABASE_NAME>
foodb

> <SMILES>
CC1=C2CC(CCC2(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

> <INCHI_KEY>
WMOPMQRJLLIEJV-UHFFFAOYSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.3663

> <EXACT_MASS>
222.198365454

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
27.610783754816072

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(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>
69.1674

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.19e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)propan-2-ol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB020791

> <GENERIC_NAME>
gamma-Eudesmol

$$$$