Mrv1652307301920052D          

 14 15  0  0  1  0            999 V2000
    3.0214    2.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8746   -1.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4049   -0.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1635   -0.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1635    0.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6717    0.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780   -0.6957    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5925    0.5418    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5925   -0.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780    0.9543    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5925    2.1918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069    0.9543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
  9  7  1  1  0  0  0
 11  2  1  0  0  0  0
 11  3  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 12  4  1  0  0  0  0
 12  6  1  0  0  0  0
 12  7  1  1  0  0  0
 10 12  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 10 14  1  6  0  0  0
M  END
> <DATABASE_ID>
FDB020533

> <DATABASE_NAME>
foodb

> <SMILES>
CC(=O)O[C@H]1[C@@]2(C)CC[C@H](C2)C1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m1/s1

> <INCHI_KEY>
JUWUWIGZUVEFQB-FOGDFJRCSA-N

> <FORMULA>
C12H20O2

> <MOLECULAR_WEIGHT>
196.286

> <EXACT_MASS>
196.146329884

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
22.47589984250941

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl acetate

> <JCHEM_LOGP>
2.5864907546666664

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.0049844092082

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
54.3118

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl acetate

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB020533

> <GENERIC_NAME>
(-)-alpha-Fenchyl acetate

$$$$