Mrv0541 05061309462D          

 17 19  0  0  0  0            999 V2000
    0.4038    0.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4301    0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5695   -0.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1297   -1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9903   -1.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3865   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2990   -0.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448    0.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2018    0.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0133    0.9752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7364    0.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9843    0.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7709    0.9934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1675    0.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5275   -0.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4773   -1.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM030905

> <DATABASE_NAME>
chemdb

> <SMILES>
C\C(CO)=C1\CCC2(C)C3CCC(C)(O)C2C13

> <INCHI_IDENTIFIER>
InChI=1S/C15H24O2/c1-9(8-16)10-4-6-14(2)11-5-7-15(3,17)13(14)12(10)11/h11-13,16-17H,4-8H2,1-3H3/b10-9+

> <INCHI_KEY>
VCKNBYBUMOAFMV-MDZDMXLPSA-N

> <FORMULA>
C15H24O2

> <MOLECULAR_WEIGHT>
236.3499

> <EXACT_MASS>
236.177630012

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
27.883321275007138

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(8E)-8-(1-hydroxypropan-2-ylidene)-1,3-dimethyltricyclo[4.4.0.0²,⁷]decan-3-ol

> <ALOGPS_LOGP>
1.38

> <JCHEM_LOGP>
1.448493956333333

> <ALOGPS_LOGS>
-2.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.882097424822216

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5143001694894521

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
68.9581

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.51e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(8E)-8-(1-hydroxypropan-2-ylidene)-1,3-dimethyltricyclo[4.4.0.0²,⁷]decan-3-ol

> <JCHEM_VEBER_RULE>
0

> <NAME>
(3xi,7(11)Z)-7(11)-Copaene-4,12-diol

$$$$