Mrv0541 05061308372D          

 16 18  0  0  0  0            999 V2000
    2.7978    2.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9150    1.6779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5969   -1.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0960    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5848   -0.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9428    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7805    1.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0992    1.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7805   -0.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5848    1.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0  0  0  0
  8  7  1  0  0  0  0
 10  1  2  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
 13  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 15 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM029545

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1CCC23OC12CC(CCC3C)C(C)=C

> <INCHI_IDENTIFIER>
InChI=1S/C15H24O/c1-10(2)13-6-5-11(3)14-8-7-12(4)15(14,9-13)16-14/h11-13H,1,5-9H2,2-4H3

> <INCHI_KEY>
RGRYQUWGSJPMMK-UHFFFAOYSA-N

> <FORMULA>
C15H24O

> <MOLECULAR_WEIGHT>
220.3505

> <EXACT_MASS>
220.18271539

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
27.067759660772538

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,8-dimethyl-5-(prop-1-en-2-yl)-11-oxatricyclo[5.3.1.0¹,⁷]undecane

> <ALOGPS_LOGP>
4.29

> <JCHEM_LOGP>
3.910872351666667

> <ALOGPS_LOGS>
-4.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.25432013110417

> <JCHEM_POLAR_SURFACE_AREA>
12.53

> <JCHEM_REFRACTIVITY>
66.068

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.50e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,8-dimethyl-5-(prop-1-en-2-yl)-11-oxatricyclo[5.3.1.0¹,⁷]undecane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Epoxyguaiene

> <CAS>
10410-05-6

$$$$