Trans-Muurola-4(14),5-diene
  Mrv2104 06072104192D          
  Mrv0541 01231310482D          
 15 16  0  0  0  0            999 V2000
   -1.3816    3.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0961    2.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0961    1.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3816    1.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6672    2.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7618    1.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7618    2.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0473    3.2135    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6672    1.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0473    1.5635    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8106    1.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0473    4.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0473    0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7618    0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6672    0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  2  0  0  0  0
  8  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  5  9  1  0  0  0  0
  3 11  2  0  0  0  0
  8 12  1  6  0  0  0
 10 13  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <DATABASE_ID>
PHUB000151

> <DATABASE_NAME>
phytohub

> <SMILES>
CC(C)[C@@H]1CC[C@@H](C)C2CCC(=C)C=C12

> <INCHI_IDENTIFIER>
InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-14H,3,5-8H2,1-2,4H3/t12-,13+,14?/s2

> <INCHI_KEY>
RNDFUOKDULDZPR-BZFUCLQMNA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
25.949666216272405

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,4R)-4-methyl-7-methylidene-1-(propan-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene

> <ALOGPS_LOGP>
5.48

> <JCHEM_LOGP>
4.506281368000001

> <ALOGPS_LOGS>
-4.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
67.52590000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.45e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,4S)-4-isopropyl-1-methyl-6-methylidene-2,3,4,7,8,8a-hexahydro-1H-naphthalene

> <JCHEM_VEBER_RULE>
1

$$$$