Mrv0541 02241212502D          

 11 12  0  0  0  0            999 V2000
   -0.5598    0.1473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2743   -0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2743   -1.0902    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5598   -1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1546   -1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1546   -0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5598    0.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5598   -2.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1546   -2.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2743   -2.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5598   -0.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  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
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  3 11  1  1  0  0  0
  1 11  1  1  0  0  0
M  END
> <DATABASE_ID>
CHEM025382

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)C1CC[C@@]2(C)C[C@@H]1O2

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O/c1-7(2)8-4-5-10(3)6-9(8)11-10/h7-9H,4-6H2,1-3H3/t8?,9-,10-/m0/s1

> <INCHI_KEY>
SCBPMTMIWOKDGL-AGROOBSYSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.2493

> <EXACT_MASS>
154.135765198

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
19.058093808140598

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,5S)-1-methyl-4-(propan-2-yl)-6-oxabicyclo[3.1.1]heptane

> <ALOGPS_LOGP>
2.41

> <JCHEM_LOGP>
2.3600217583333327

> <ALOGPS_LOGS>
-3.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.189530366665244

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
45.6507

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.00e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,5S)-4-isopropyl-1-methyl-6-oxabicyclo[3.1.1]heptane

> <JCHEM_VEBER_RULE>
1

> <NAME>
1,5-Cineole

$$$$