Mrv0541 05061308212D          

 17 19  0  0  0  0            999 V2000
   -0.2684    3.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1328    3.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0442    0.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8508    0.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4785    2.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655    1.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    1.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6012    2.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8356    0.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3751    3.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2608    2.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6822    0.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4454    1.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0948    1.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8822    1.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1019   -0.3441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4520    1.4660    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  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  3  1  0  0  0  0
 13  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  4  1  0  0  0  0
 14  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 15 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 17 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM029201

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)C1CCC2(C)CC(O)C3(C)CCC12O3

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O2/c1-10(2)11-5-6-13(3)9-12(16)14(4)7-8-15(11,13)17-14/h10-12,16H,5-9H2,1-4H3

> <INCHI_KEY>
VLIUMVVQGMLOJG-UHFFFAOYSA-N

> <FORMULA>
C15H26O2

> <MOLECULAR_WEIGHT>
238.3657

> <EXACT_MASS>
238.193280076

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
28.05348398195364

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,8-dimethyl-2-(propan-2-yl)-11-oxatricyclo[6.2.1.0¹,⁵]undecan-7-ol

> <ALOGPS_LOGP>
2.73

> <JCHEM_LOGP>
2.8848276593333337

> <ALOGPS_LOGS>
-3.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.979127331478804

> <JCHEM_PKA_STRONGEST_BASIC>
-3.245329705211171

> <JCHEM_POLAR_SURFACE_AREA>
29.46

> <JCHEM_REFRACTIVITY>
67.88650000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.20e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
daucol

> <JCHEM_VEBER_RULE>
1

> <NAME>
Daucol

> <CAS>
887-08-1

$$$$