Mrv0541 05061312232D          

 20 19  0  0  0  0            999 V2000
    5.0605    2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6355    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9210    1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4895    2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2065    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2039    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4921    1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9184    2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7776    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6329    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0631    2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474    2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3487    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0618    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6342    2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7763    2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9197    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4908    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2052    2.4454    0.0000 C   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  1  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  3  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM034240

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCCCCC#CCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C20H38/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-9,11,13-20H2,1-2H3

> <INCHI_KEY>
ZPJDHJXVUOPHKD-UHFFFAOYSA-N

> <FORMULA>
C20H38

> <MOLECULAR_WEIGHT>
278.5157

> <EXACT_MASS>
278.297351216

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
40.38308997859852

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
icos-5-yne

> <ALOGPS_LOGP>
8.80

> <JCHEM_LOGP>
8.939805867333334

> <ALOGPS_LOGS>
-6.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
93.1836

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.77e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
icos-5-yne

> <JCHEM_VEBER_RULE>
0

> <NAME>
5-Eicosyne

> <CAS>
74685-31-7

$$$$