Mrv1572004221605422D          

 17 17  0  0  0  0            999 V2000
    2.0403   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4699   -1.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2156   -2.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2946   -1.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8204   -1.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7242   -0.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2499   -0.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3290   -0.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8547   -0.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7586    0.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2843    0.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3634    1.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8891    1.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5386    1.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3187    2.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5730    2.7968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  2  0  0  0  0
  9  7  1  0  0  0  0
  8 10  1  4  0  0  0
 11  9  1  0  0  0  0
 12 10  1  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
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM019409

> <DATABASE_NAME>
chemdb

> <SMILES>
O=C1CCCCCCCCCCC=CCCC1

> <INCHI_IDENTIFIER>
InChI=1S/C16H28O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h6,8H,1-5,7,9-15H2

> <INCHI_KEY>
ABRIMXGLNHCLIP-UHFFFAOYSA-N

> <FORMULA>
C16H28O

> <MOLECULAR_WEIGHT>
236.399

> <EXACT_MASS>
236.214015522

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
29.8473492866856

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
cyclohexadec-5-en-1-one

> <ALOGPS_LOGP>
6.04

> <JCHEM_LOGP>
5.571959258

> <ALOGPS_LOGS>
-5.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.347179433849336

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
75.37399999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.97e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cyclohexadec-5-en-1-one

> <JCHEM_VEBER_RULE>
1

> <NAME>
5-Cyclohexadecen-1-one

> <CAS>
37609-25-9

> <SYNONYMS>
cyclohexadec-5-en-1-one

$$$$