Mrv0541 02241212462D          

 11 11  0  0  0  0            999 V2000
   -1.3848   -0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0993   -1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0993   -1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3848   -2.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6704   -1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6704   -1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3848    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3848   -3.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6704   -3.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0993   -3.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6703   -2.7991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  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  2  0  0  0  0
  4 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM030646

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(=C)C1(O)CCC(C)=CC1

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

> <INCHI_KEY>
OVKDFILSBMEKLT-UHFFFAOYSA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.2334

> <EXACT_MASS>
152.120115134

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
17.92049207444425

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-methyl-1-(prop-1-en-2-yl)cyclohex-3-en-1-ol

> <ALOGPS_LOGP>
2.42

> <JCHEM_LOGP>
2.0605128866666664

> <ALOGPS_LOGS>
-1.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.233874423926363

> <JCHEM_PKA_STRONGEST_BASIC>
-0.946903326974608

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
48.008399999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.41e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-methyl-1-(prop-1-en-2-yl)cyclohex-3-en-1-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
p-Mentha-1,8-dien-4-ol

> <CAS>
3419-02-1

$$$$