Mrv1652304282211032D          

 15 17  0  0  1  0            999 V2000
    1.2968    0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4718    0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169    0.7907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8843    1.2756    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5517    0.7907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2192    1.2756    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9642    2.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1392    2.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0038    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6294    2.0602    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1956    2.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4506    1.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6806    2.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1143    2.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4506    0.3057    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  0  0  0  0
  5  1  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  1  0  0  0
  6  9  1  6  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  3 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  6  0  0  0
  3 15  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0064777

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1CC[C@]23[C@@H](C)C(C)=C[C@@]2(C)CC[C@H]13

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-10-5-8-15-12(3)11(2)9-14(15,4)7-6-13(10)15/h9-10,12-13H,5-8H2,1-4H3/t10-,12-,13+,14+,15+/m0/s1

> <INCHI_KEY>
OVRIZVNVMIWWMN-VNUKXSOBSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
25.75279487732553

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2S,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.0^{1,5}]undec-3-ene

> <ALOGPS_LOGP>
5.11

> <JCHEM_LOGP>
4.101158186333333

> <ALOGPS_LOGS>
-5.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
65.6944

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.48e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.0^{1,5}]undec-3-ene

> <JCHEM_VEBER_RULE>
1

> <NP-MRD_ID>
NP0064777

> <GENERIC_NAME>
7alpha-5-Silphiperfolene

$$$$