6436348
  -OEChem-09272320522D

 38 38  0     0  0  0  0  0  0999 V2000
    2.8660   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1950    0.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    0.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    0.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -1.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -0.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8627   -0.1649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8055    0.9441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0873    1.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5844    0.7288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  2  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6436348

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
363

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAGgAAAAAADASAgAACAAAAAACIAqBSAAAAAAAgAAAACAEAAEgAABIAAQAAAAAAgAAIAQMAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3E,7E)-10-isopropylidene-3,7-dimethyl-cyclodeca-3,7-dien-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
(3E,7E)-3,7-dimethyl-10-propan-2-ylidene-1-cyclodeca-3,7-dienone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>E</I>,7<I>E</I>)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one

> <PUBCHEM_IUPAC_NAME>
(3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3E,7E)-3,7-dimethyl-10-propan-2-ylidene-cyclodeca-3,7-dien-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3E,7E)-10-isopropylidene-3,7-dimethyl-cyclodeca-3,7-dien-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8+,13-7+

> <PUBCHEM_IUPAC_INCHIKEY>
CAULGCQHVOVVRN-SWZPTJTJSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
218.167065321

> <PUBCHEM_MOLECULAR_FORMULA>
C15H22O

> <PUBCHEM_MOLECULAR_WEIGHT>
218.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C/1=C\CC(=C(C)C)C(=O)C/C(=C/CC1)/C

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
218.167065321

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
13

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$