442355
 OpenBabel05082101102D

 39 41  0  0  1  0  0  0  0  0999 V2000
    2.9986   -0.0572    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8153    0.0280    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6752    0.9851    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4164    0.0192    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3659   -0.8607    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5009   -0.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4439   -1.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5967    2.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1954    1.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0440   -1.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6022    2.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2173    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0195   -1.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7465   -2.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4227    0.1525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2299    1.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542    0.2806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9800   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8991   -1.0665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4749   -1.5365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0874   -1.7445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8304   -1.7220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    2.4464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6289    3.0650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    0.5082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3809   -0.1443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0333   -0.7300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4391   -1.7319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2922    3.0873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884    2.0354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6108    1.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3462    0.8225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1557   -1.9808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6244   -1.2397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8833   -0.7711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1545   -2.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5620   -3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3384   -2.7349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  1  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 16  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
442355

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
312

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAABgAAAAAAAwYIEAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R)-8-isopropyl-1,3-dimethyl-tricyclo[4.4.0.02,7]dec-3-ene

>  <PUBCHEM_IUPAC_CAS_NAME>
(1R)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.0<SUP>2,7</SUP>]dec-3-ene

>  <PUBCHEM_IUPAC_NAME>
(1R)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R)-1,3-dimethyl-8-propan-2-yl-tricyclo[4.4.0.02,7]dec-3-ene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R)-8-isopropyl-1,3-dimethyl-tricyclo[4.4.0.02,7]dec-3-ene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11?,12?,13?,14?,15-/m1/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
VLXDPFLIRFYIME-ZPWMNFGTSA-N

>  <PUBCHEM_XLOGP3_AA>
4.5

>  <PUBCHEM_EXACT_MASS>
204.187801

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H24

>  <PUBCHEM_MOLECULAR_WEIGHT>
204.35

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC2C3C1C2(CCC3C(C)C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CCC2C3C1[C@@]2(CCC3C(C)C)C

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.187801

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
15

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
1  10  5
2  5  3
3  8  3
4  9  3
5  11  3

$$$$
