Mrv1652309272007262D          

 19 21  0  0  0  0            999 V2000
   15.7914  -22.4992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.5070  -22.0915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5030  -22.9154    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.2936  -24.0011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1454  -23.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8110  -23.3396    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6321  -24.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0800  -23.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2895  -22.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0758  -22.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5070  -23.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7914  -24.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0758  -24.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0716  -22.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4255  -23.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4255  -24.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2895  -24.8290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2144  -23.3272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2202  -22.7447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  7  5  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  2  0  0  0  0
  1 14  1  6  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
  4 17  1  6  0  0  0
  3 18  1  1  0  0  0
  6 19  1  1  0  0  0
  3  2  1  0  0  0  0
  8  4  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000214

> <DATABASE_NAME>
CDB

> <SMILES>
[H][C@@]12CCC(=C)[C@@]3([H])CC(C)(C)[C@]3([H])CC[C@@]1(C)O2

> <INCHI_IDENTIFIER>
InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1

> <INCHI_KEY>
NVEQFIOZRFFVFW-RGCMKSIDSA-N

> <FORMULA>
C15H24O

> <MOLECULAR_WEIGHT>
220.356

> <EXACT_MASS>
220.182715393

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
26.456123077211345

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0^{4,6}]dodecane

> <ALOGPS_LOGP>
3.49

> <JCHEM_LOGP>
3.6185278833333334

> <ALOGPS_LOGS>
-4.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.224447799898045

> <JCHEM_POLAR_SURFACE_AREA>
12.53

> <JCHEM_REFRACTIVITY>
66.2129

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.96e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0^{4,6}]dodecane

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000214

> <GENERIC_NAME>
(1R,4R,6R,10S)-4,12,12-Trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane

$$$$