Cineol (1,8)-
  Mrv1652305271900122D          

 11 12  0  0  0  0            999 V2000
   23.0260   -9.4412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1081   -8.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4437   -8.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5205  -11.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6217   -9.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6986  -10.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8766  -10.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9587  -11.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5072  -11.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1632  -10.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1368  -10.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB014616

> <DATABASE_NAME>
foodb

> <SMILES>
CC12CCC(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

> <INCHI_KEY>
WEEGYLXZBRQIMU-UHFFFAOYSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.253

> <EXACT_MASS>
154.1357652

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
18.538015531968256

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
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>
eucalyptol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB014616

> <GENERIC_NAME>
1,8-Cineole

$$$$