Mrv0541 02241209122D          

 11 11  0  0  0  0            999 V2000
    0.5448    0.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5442   -0.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1703   -0.4964    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8844   -0.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8846    0.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1701    1.1534    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7016    1.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8848   -1.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1703   -1.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5439   -1.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3595    1.7847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6 11  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM029004

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10+/m0/s1

> <INCHI_KEY>
MKPMHJQMNACGDI-VHSXEESVSA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.2334

> <EXACT_MASS>
152.120115134

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.00430814866659

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol

> <ALOGPS_LOGP>
2.58

> <JCHEM_LOGP>
2.026216981333333

> <ALOGPS_LOGS>
-2.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.247779344243927

> <JCHEM_PKA_STRONGEST_BASIC>
-1.378221314827706

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
48.352000000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.70e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
(1S,4R)-p-Mentha-2,8-dien-1-ol

> <CAS>
22972-51-6

$$$$