Mrv0541 02241210552D          

 17 16  0  0  0  0            999 V2000
   -5.7193   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0043    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2895   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5744    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8596   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1446    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4298   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7149    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4298   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8597   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5745    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2896   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0044    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7193   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  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
M  END
> <DATABASE_ID>
CHEM034216

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCC\C=C\C\C=C\CCC=C

> <INCHI_IDENTIFIER>
InChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,9,11,15,17H,1,4-8,10,12-14,16H2,2H3/b11-9+,17-15+

> <INCHI_KEY>
MYHCPULNJBZGRM-HFPDKQRBSA-N

> <FORMULA>
C17H30

> <MOLECULAR_WEIGHT>
234.4201

> <EXACT_MASS>
234.23475096

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
32.76452468817956

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5E,8E)-heptadeca-1,5,8-triene

> <ALOGPS_LOGP>
7.23

> <JCHEM_LOGP>
6.993561908

> <ALOGPS_LOGS>
-6.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
82.2965

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.86e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5E,8E)-heptadeca-1,5,8-triene

> <JCHEM_VEBER_RULE>
0

> <NAME>
(5Z,8Z)-1,5,8-Heptadecatriene

> <CAS>
145297-96-7

$$$$