Mrv1652309272007362D          

 10 11  0  0  0  0            999 V2000
 9998.177710000.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.6495 9999.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.1756 9999.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.1756 9997.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.1741 9999.8457    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.4597 9999.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.4597 9998.6082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.1741 9998.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.8885 9998.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.8885 9999.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1  6  1  0  0  0  0
  6  2  1  0  0  0  0
  8  4  1  0  0  0  0
  7  3  1  1  0  0  0
  5  3  1  1  0  0  0
M  END
> <DATABASE_ID>
FDB013765

> <DATABASE_NAME>
foodb

> <SMILES>
CC1=CC[C@@H]2C[C@H]1C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1

> <INCHI_KEY>
GRWFGVWFFZKLTI-RKDXNWHRSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.234

> <EXACT_MASS>
136.125200512

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.223825032522

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

> <ALOGPS_LOGP>
3.66

> <JCHEM_LOGP>
2.801661446333333

> <ALOGPS_LOGS>
-2.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
44.7223

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.58e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(+)-α-pinene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB013765

> <GENERIC_NAME>
(+)-alpha-Pinene

$$$$