Mrv0541 02241217042D          

 15 16  0  0  0  0            999 V2000
    1.0548   -0.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0548    0.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3243    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4055    0.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3243   -0.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0548   -0.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0548   -1.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3243   -1.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3243   -1.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3243   -0.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7853    0.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0548    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0548    1.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7853   -0.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7853   -1.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 14  2  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
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM031526

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)C1CCC(=C)C2CCC(=C)CC12

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

> <INCHI_KEY>
NOLWRMQDWRAODO-UHFFFAOYSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.3511

> <EXACT_MASS>
204.187800768

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
26.124113861596612

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,6-dimethylidene-4-(propan-2-yl)-decahydronaphthalene

> <ALOGPS_LOGP>
4.06

> <JCHEM_LOGP>
4.564215038333333

> <ALOGPS_LOGS>
-4.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
66.4534

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.56e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-isopropyl-1,6-dimethylidene-octahydronaphthalene

> <JCHEM_VEBER_RULE>
1

> <NAME>
epsilon-Muurolene

> <CAS>
1136-29-4

> <SYNONYMS>
epsilon-Bulgarene; epsilon-Cadinene

$$$$