Mrv0541 02241208052D          

 13 13  0  0  0  0            999 V2000
   -1.0714    0.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0714    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3558    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3558    0.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    2.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714    1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0714   -1.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3558   -1.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -2.0636    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
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM027755

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1CCC(CC1O)C(C)(O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C10H20O3/c1-7-3-4-8(5-9(7)12)10(2,13)6-11/h7-9,11-13H,3-6H2,1-2H3

> <INCHI_KEY>
QOYJDVFOAJUXAR-UHFFFAOYSA-N

> <FORMULA>
C10H20O3

> <MOLECULAR_WEIGHT>
188.264

> <EXACT_MASS>
188.141244506

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
21.502013693150083

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(3-hydroxy-4-methylcyclohexyl)propane-1,2-diol

> <ALOGPS_LOGP>
0.80

> <JCHEM_LOGP>
0.22420222533333278

> <ALOGPS_LOGS>
-0.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.847642084513687

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.834836489324335

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8225775743555097

> <JCHEM_POLAR_SURFACE_AREA>
60.69

> <JCHEM_REFRACTIVITY>
50.748099999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.80e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(3-hydroxy-4-methylcyclohexyl)propane-1,2-diol

> <JCHEM_VEBER_RULE>
0

> <NAME>
(1R,2R,4R,8R)-p-Menthane-2,8,9-triol

> <CAS>
212516-28-4

> <SYNONYMS>
(1R*,2S*,4R*,8R*)-p-Menthane-2,8,9-triol; (1R*,2S*,4R*,8S*)-p-Menthane-2,8,9-triol; (1R,2R,4R,8S)-p-Menthane-2,8,9-triol; (1S*,2S*,4R*,8R*)-p-Menthane-2,8,9-triol; (1S*,2S*,4R*,8S*)-p-Menthane-2,8,9-triol; (1S,2R,4R,8R)-p-Menthane-2,8,9-triol; (1S,2R,4R,8S)-p-Menthane-2,8,9-triol; (1S,2S,4S,8R)-p-Menthane-2,8,9-triol; (1S,2S,4S,8S)-p-Menthane-2,8,9-triol

$$$$