Mrv0541 02241215062D          

 19 18  0  0  0  0            999 V2000
    1.4021    2.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445    1.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445    0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4846    0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4846   -0.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445   -0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445   -1.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4021   -2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421   -1.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004   -2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7421   -1.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4021   -2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1445   -1.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1445   -0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4021   -0.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4021    0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7421    0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004    0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004   -0.4129    0.0000 C   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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB000802

> <DATABASE_NAME>
foodb

> <SMILES>
CCCCCCCC\C=C\CCCCCCCCO

> <INCHI_IDENTIFIER>
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9+

> <INCHI_KEY>
ALSTYHKOOCGGFT-MDZDMXLPSA-N

> <FORMULA>
C18H36O

> <MOLECULAR_WEIGHT>
268.4778

> <EXACT_MASS>
268.276615774

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
37.65820561923206

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(9E)-octadec-9-en-1-ol

> <ALOGPS_LOGP>
7.91

> <JCHEM_LOGP>
6.667361599333333

> <ALOGPS_LOGS>
-6.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.843942821991913

> <JCHEM_PKA_STRONGEST_BASIC>
-1.9922594096607371

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
87.6655

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.71e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(9E)-octadec-9-en-1-ol

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB000802

> <GENERIC_NAME>
Oleyl alcohol

$$$$