Linalool (cis-8-hydroxy-)
  Mrv1572001071617082D          
  Mrv0541 01101311042D          
 14 13  0  0  0  0            999 V2000
    0.9715   -0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6860    0.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2735    0.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4485    0.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0360    1.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7890    1.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2015    0.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2015    2.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0985   -0.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9235   -0.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7890    0.1719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4005    0.5844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1149    0.1719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2015   -0.5426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  2  0  0  0  0
  7 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB004695

> <DATABASE_NAME>
foodb

> <SMILES>
[H]OC\C(C)=C/CCC(C)(O[H])C=C

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6-

> <INCHI_KEY>
NSMIMJYEKVSYMT-TWGQIWQCSA-N

> <FORMULA>
C10H18O2

> <MOLECULAR_WEIGHT>
170.252

> <EXACT_MASS>
170.13067982

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
20.158161716236336

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2Z)-2,6-dimethylocta-2,7-diene-1,6-diol

> <ALOGPS_LOGP>
1.35

> <JCHEM_LOGP>
1.3667212959999993

> <ALOGPS_LOGS>
-1.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.45938795806991

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.644023096128976

> <JCHEM_PKA_STRONGEST_BASIC>
-1.2856637071402215

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
51.981300000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.55e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2Z)-2,6-dimethylocta-2,7-diene-1,6-diol

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB004695

> <GENERIC_NAME>
2,6-Dimethylocta-cis-2,7-diene-1,6-diol

$$$$