Mrv1652309272007462D          

 11 12  0  0  0  0            999 V2000
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3000    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0139   -1.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5262   -0.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  1  2  1  0  0  0  0
  4  7  1  1  0  0  0
  6  8  1  1  0  0  0
  8  7  1  0  0  0  0
  4  5  1  0  0  0  0
 11  9  1  0  0  0  0
 11 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11  3  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB112393

> <DATABASE_NAME>
foodb

> <SMILES>
C[C@@]12CC[C@@H](CC1)C(C)(C)O2

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+

> <INCHI_KEY>
WEEGYLXZBRQIMU-WAAGHKOSSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.2493

> <EXACT_MASS>
154.135765198

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
18.53942553294828

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane

> <ALOGPS_LOGP>
3.36

> <JCHEM_LOGP>
2.3484196063333327

> <ALOGPS_LOGS>
-3.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.205900916339655

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
45.8609

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.25e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,8-cineole

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB112393

> <GENERIC_NAME>
Eucalyptol

$$$$