Mrv1652304282211042D          

 15 17  0  0  1  0            999 V2000
   -0.1956   -0.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4506   -0.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169   -1.3692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8843   -0.8843    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6294   -0.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517   -1.3692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2968   -2.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4718   -2.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7817   -2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2192   -0.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9642   -0.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1392   -0.0997    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6543    0.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2192   -1.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4506   -1.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  1  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  1  0  0  0
  6 14  1  1  0  0  0
  3 15  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0064782

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1CC[C@]2(C)C(C)=C[C@@]3(C)CCC[C@@]123

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-11-6-9-14(4)12(2)10-13(3)7-5-8-15(11,13)14/h10-11H,5-9H2,1-4H3/t11-,13+,14+,15-/m0/s1

> <INCHI_KEY>
SAOJPWFHRMUCFN-MYPMTAMASA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
25.37507466048016

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2S,5R,8R)-2,5,6,8-tetramethyltricyclo[6.3.0.0^{1,5}]undec-6-ene

> <ALOGPS_LOGP>
5.87

> <JCHEM_LOGP>
4.11418621

> <ALOGPS_LOGS>
-5.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
65.62089999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.60e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,5R,8R)-2,5,6,8-tetramethyltricyclo[6.3.0.0^{1,5}]undec-6-ene

> <JCHEM_VEBER_RULE>
1

> <NP-MRD_ID>
NP0064782

> <GENERIC_NAME>
(-)-Isocomene

$$$$