Mrv1533004171508432D          

 18 18  0  0  0  0            999 V2000
    2.3541    2.4774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6371    1.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2708    2.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9690    1.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7669    0.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1531    0.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7137   -0.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0987   -1.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6592   -1.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8348   -1.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3954   -2.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5710   -2.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1860   -1.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6255   -1.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2405   -0.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6799    0.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7343    1.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  4  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  2 18  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM005241

> <DATABASE_NAME>
chemdb

> <SMILES>
O=C1CCCCCCCC=CCCCCCCC1

> <INCHI_IDENTIFIER>
InChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2

> <INCHI_KEY>
ZKVZSBSZTMPBQR-UHFFFAOYSA-N

> <FORMULA>
C17H30O

> <MOLECULAR_WEIGHT>
250.426

> <EXACT_MASS>
250.229665586

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
31.90866452556549

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
cycloheptadec-9-en-1-one

> <ALOGPS_LOGP>
6.43

> <JCHEM_LOGP>
6.016527923000001

> <ALOGPS_LOGS>
-6.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.346983285909898

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
79.975

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.56e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
civetone

> <JCHEM_VEBER_RULE>
1

> <NAME>
CYCLOHEPTADECA-9-EN-1-ONE

> <CAS>
542-46-1

> <SYNONYMS>
(Z)-9-Cycloheptadecen-1-one

$$$$