Mrv1652306031607502D          

 16 17  0  0  0  0            999 V2000
    7.1583    0.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5347    0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0024   -0.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6906    1.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2228   -0.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0669    2.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5992   -0.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2874    1.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7928    0.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8196   -0.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4164   -0.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1315    0.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9487    0.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1960   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3519    0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7283    1.2226    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  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM011816

> <DATABASE_NAME>
chemdb

> <SMILES>
C1COC2=C(C1)CCCCCCCCCC2

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O/c1-2-4-6-8-12-15-14(10-7-5-3-1)11-9-13-16-15/h1-13H2

> <INCHI_KEY>
VJRVVBJENDJBLJ-UHFFFAOYSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.372

> <EXACT_MASS>
222.198365457

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
27.867736814380482

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2H,3H,4H,5H,6H,7H,8H,9H,10H,11H,12H,13H,14H-cyclododeca[b]pyran

> <ALOGPS_LOGP>
5.63

> <JCHEM_LOGP>
4.473372407333333

> <ALOGPS_LOGS>
-4.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.7651681787631945

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
70.2775

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.33e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2H,3H,4H,5H,6H,7H,8H,9H,10H,11H,12H,13H,14H-cyclododeca[b]pyran

> <JCHEM_VEBER_RULE>
1

> <NAME>
2H-Cyclododeca[b]pyran, 3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-

> <CAS>
32539-83-6

> <SYNONYMS>
3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-2H-cyclododeca[b]pyran

$$$$