Mrv0541 02241212252D          

 11 11  0  0  0  0            999 V2000
   -1.7089   -1.0902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4234   -1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4234   -2.3277    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7089   -2.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9945   -2.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9945   -1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7089   -0.2652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -2.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2800   -1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2800   -0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345   -1.5027    0.0000 C   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  1  0  0  0
  3  8  1  1  0  0  0
  6  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM023910

> <DATABASE_NAME>
chemdb

> <SMILES>
C[C@@H]1CCC([C@H](O)C1)=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8,10-11H,4-6H2,1-3H3/t8-,10-/m1/s1

> <INCHI_KEY>
JGVWYJDASSSGEK-PSASIEDQSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.2493

> <EXACT_MASS>
154.135765198

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.999979370636538

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,5R)-5-methyl-2-(propan-2-ylidene)cyclohexan-1-ol

> <ALOGPS_LOGP>
2.52

> <JCHEM_LOGP>
2.292989571

> <ALOGPS_LOGS>
-1.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.760333930742096

> <JCHEM_PKA_STRONGEST_BASIC>
-1.154029938693407

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
47.951699999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.02e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,5R)-5-methyl-2-(propan-2-ylidene)cyclohexan-1-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
p-Menth-4(8)-en-3-ol

> <CAS>
22472-80-6

$$$$