Mrv0541 05061306052D          

 18 18  0  0  0  0            999 V2000
    1.9264    0.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6183   -2.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8433   -1.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8185   -2.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432   -1.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2436   -1.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8681   -0.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4685   -0.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2932    0.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8936   -0.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5182    1.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1186    0.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9433    1.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5437    1.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7686    1.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1937    2.4036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5685    2.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  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  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  1  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM026620

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1CCCCCCCCCCCCCC(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C16H30O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15/h15H,2-14H2,1H3

> <INCHI_KEY>
GILZFLFJYUGJLX-UHFFFAOYSA-N

> <FORMULA>
C16H30O2

> <MOLECULAR_WEIGHT>
254.4082

> <EXACT_MASS>
254.224580204

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
31.545997480406687

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
16-methyl-1-oxacyclohexadecan-2-one

> <ALOGPS_LOGP>
6.19

> <JCHEM_LOGP>
5.456381645333333

> <ALOGPS_LOGS>
-5.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.040889365347472

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
75.33789999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.05e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
16-methyl-1-oxacyclohexadecan-2-one

> <JCHEM_VEBER_RULE>
1

> <NAME>
15-Hexadecanolide

> <CAS>
69297-56-9

$$$$