Mrv1652303192001283D          

 11 10  0  0  0  0            999 V2000
    4.8577   -0.2396   -0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0176    0.4806   -0.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3734   -0.5973   -0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9394   -0.5186    0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6284    0.7029   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8018    0.0964    0.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1286    0.5105    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5572    0.1220    0.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5475   -0.2907   -0.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9111   -0.4496   -0.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5639   -1.0893   -1.6421 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  3  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
> <DATABASE_ID>
CDB000276

> <DATABASE_NAME>
CDB

> <SMILES>
CCCCCC(=O)C=CCC

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O/c1-3-5-7-9-10(11)8-6-4-2/h6,8H,3-5,7,9H2,1-2H3

> <INCHI_KEY>
IWQQYVVAYYANSF-UHFFFAOYSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.253

> <EXACT_MASS>
154.1357652

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
19.722687255523567

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dec-3-en-5-one

> <ALOGPS_LOGP>
3.38

> <JCHEM_LOGP>
3.7280183170000005

> <ALOGPS_LOGS>
-2.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.621710852517172

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
49.546899999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.70e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dec-3-en-5-one

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000276

> <GENERIC_NAME>
3-Decen-5-one

$$$$