6428281
  -OEChem-09011500382D

 39 40  0     1  0  0  0  0  0999 V2000
    5.0000   -0.3716    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5878   -1.1806    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5878    0.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5388   -0.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5388    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2788   -2.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2788    1.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9479    2.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3006    1.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0262   -1.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3923   -1.8482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0826   -1.4497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6678   -1.4780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1554   -0.8068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0826    0.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3923    1.1050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1554    0.0636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6678    0.7349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174   -1.4497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077   -1.8482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6891   -1.9401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0872   -2.7213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8684   -2.3232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    1.0314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4086    1.7168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3628    2.5924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4872    2.5465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4295    2.2029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    1.7253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717    0.9900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.3716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  1  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  2  0  0  0  0
  4  8  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 10  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 12  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  2  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  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>
6428281

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
315

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAYAAAAAgAAAAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAAAAAAAAAAAAAAAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,5R)-4-isopropylidene-1,8-dimethyl-spiro[4.5]dec-8-ene

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,5R)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene

> <PUBCHEM_IUPAC_NAME>
(1R,5R)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,5R)-1,8-dimethyl-4-propan-2-ylidene-spiro[4.5]dec-8-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,5R)-4-isopropylidene-1,8-dimethyl-spiro[4.5]dec-8-ene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13H,5-6,8-10H2,1-4H3/t13-,15+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HMKLOOMRRZKSNM-HIFRSBDPSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
204.187801

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.35106

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC(=C(C)C)C12CCC(=CC2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1CCC(=C(C)C)[C@@]12CCC(=CC2)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.187801

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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  4  6
2  9  5

$$$$
