Mrv0541 05061309202D          

 15 17  0  0  0  0            999 V2000
    2.6264   -2.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2687   -1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5197   -2.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6044   -0.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5348   -0.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1518    0.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1648   -1.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1403   -0.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5782   -1.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1351   -1.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8420   -1.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6879   -0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3732   -0.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6605   -1.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2999   -0.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  1  0  0  0  0
 15  8  1  0  0  0  0
 15 12  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM030454

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)C1CCC2(C)C3C=CC(=C)C2C13

> <INCHI_IDENTIFIER>
InChI=1S/C15H22/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5-6,9,11-14H,3,7-8H2,1-2,4H3

> <INCHI_KEY>
ADVJSMBYHNLAGK-UHFFFAOYSA-N

> <FORMULA>
C15H22

> <MOLECULAR_WEIGHT>
202.3352

> <EXACT_MASS>
202.172150704

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
25.422742429282767

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-methyl-5-methylidene-8-(propan-2-yl)tricyclo[4.4.0.0²,⁷]dec-3-ene

> <ALOGPS_LOGP>
3.42

> <JCHEM_LOGP>
3.7841421763333347

> <ALOGPS_LOGS>
-4.98

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
65.81200000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.12e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
8-isopropyl-1-methyl-5-methylidenetricyclo[4.4.0.0²,⁷]dec-3-ene

> <JCHEM_VEBER_RULE>
1

> <NAME>
(1alpha,6alpha,7alphaH)-2,4(15)-Copadiene

> <CAS>
27597-38-2

$$$$