Mrv1572004191603122D          

 15 14  0  0  0  0            999 V2000
   10.4447   -0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7302    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7302    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0158    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7289    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3013    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5868    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1579    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0158   -0.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4447    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  3  1  0  0  0  0
 15  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM011263

> <DATABASE_NAME>
chemdb

> <SMILES>
[H]\C(C)=C(\[H])CCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5H,4,6-13H2,1-2H3/b5-3+

> <INCHI_KEY>
XWVHBWQEYOROBE-HWKANZROSA-N

> <FORMULA>
C13H26

> <MOLECULAR_WEIGHT>
182.351

> <EXACT_MASS>
182.203450837

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
26.29973184723451

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E)-tridec-2-ene

> <ALOGPS_LOGP>
6.70

> <JCHEM_LOGP>
5.881196891000001

> <ALOGPS_LOGS>
-6.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
62.73179999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.50e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-tridec-2-ene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Tridecene

> <CAS>
25377-82-6

$$$$