Mrv1652303192001523D          

 11 12  0  0  0  0            999 V2000
    3.7214   -0.3159   -0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9342   -0.6278   -0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5938    1.5122    1.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7974    0.8929    0.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253   -1.4064    0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3763    0.9607    1.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069   -1.1309   -0.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2749   -0.2307    0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9505    0.4007    0.3075 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5237    0.1729    0.2359 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1813    0.9774   -0.8149 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 10  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000708

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=CC[C@]2(CC1)OC2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O/c1-8-4-6-10(7-5-8)9(2,3)11-10/h4H,5-7H2,1-3H3/t10-/m1/s1

> <INCHI_KEY>
RTLTXXDTPFWZLO-SNVBAGLBSA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.237

> <EXACT_MASS>
152.120115135

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
18.394790337664592

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S)-2,2,6-trimethyl-1-oxaspiro[2.5]oct-5-ene

> <ALOGPS_LOGP>
2.92

> <JCHEM_LOGP>
2.254655045

> <ALOGPS_LOGS>
-2.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.248530636712766

> <JCHEM_POLAR_SURFACE_AREA>
12.53

> <JCHEM_REFRACTIVITY>
46.402899999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.01e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3S)-2,2,6-trimethyl-1-oxaspiro[2.5]oct-5-ene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000708

> <GENERIC_NAME>
4,8-Epoxy-p-menth-1-ene

$$$$