439570
  DSViewer          3D                             0

 25 25  0  0  0  0  0  0  0  0999 V2000
    1.3543   -1.8641    0.1788 O   0  0  0  0  0  0  0  0  0  1
    3.6691    0.8826    0.0231 C   0  0  1  0  0  0  0  0  0  2
    2.3123    0.2486   -0.3081 C   0  0  0  0  0  0  0  0  0  3
    4.8117    0.1924   -0.7284 C   0  0  0  0  0  0  0  0  0  4
    3.6702    2.3626   -0.2690 C   0  0  0  0  0  0  0  0  0  5
    2.3900   -1.2232   -0.0289 C   0  0  0  0  0  0  0  0  0  6
    4.8134   -1.2787   -0.3890 C   0  0  0  0  0  0  0  0  0  7
    3.6902   -1.9210   -0.0523 C   0  0  0  0  0  0  0  0  0  8
    4.9675    3.1196   -0.3093 C   0  0  0  0  0  0  0  0  0  9
    3.7451   -3.3875    0.2619 C   0  0  0  0  0  0  0  0  0 10
    2.5227    3.0084   -0.4699 C   0  0  0  0  0  0  0  0  0 11
    3.8764    0.7427    1.0939 H   0  0  0  0  0  0  0  0  0 12
    1.5360    0.6990    0.3106 H   0  0  0  0  0  0  0  0  0 13
    2.0786    0.4107   -1.3604 H   0  0  0  0  0  0  0  0  0 14
    4.6701    0.3184   -1.8018 H   0  0  0  0  0  0  0  0  0 15
    5.7625    0.6357   -0.4324 H   0  0  0  0  0  0  0  0  0 16
    5.7530   -1.8304   -0.4191 H   0  0  0  0  0  0  0  0  0 17
    4.7702    4.1680   -0.5328 H   0  0  0  0  0  0  0  0  0 18
    5.6106    2.6986   -1.0822 H   0  0  0  0  0  0  0  0  0 19
    5.4642    3.0421    0.6579 H   0  0  0  0  0  0  0  0  0 20
    4.7762   -3.7349    0.1982 H   0  0  0  0  0  0  0  0  0 21
    3.1325   -3.9361   -0.4536 H   0  0  0  0  0  0  0  0  0 22
    3.3664   -3.5581    1.2697 H   0  0  0  0  0  0  0  0  0 23
    1.5776    2.4674   -0.4237 H   0  0  0  0  0  0  0  0  0 24
    2.5288    4.0778   -0.6806 H   0  0  0  0  0  0  0  0  0 25
  1  6  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  2 12  1  0  0  0
  3  6  1  0  0  0
  3 13  1  0  0  0
  3 14  1  0  0  0
  4  7  1  0  0  0
  4 15  1  0  0  0
  4 16  1  0  0  0
  5  9  1  0  0  0
  5 11  2  0  0  0
  6  8  1  0  0  0
  7  8  2  0  0  0
  7 17  1  0  0  0
  8 10  1  0  0  0
  9 18  1  0  0  0
  9 19  1  0  0  0
  9 20  1  0  0  0
 10 21  1  0  0  0
 10 22  1  0  0  0
 10 23  1  0  0  0
 11 24  1  0  0  0
 11 25  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
439570

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
223

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwIAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAAAAAADQSAgAACAAAAAACIAqBSAAAAAAAgAAAACAEAAEgAABIAAQAAAAAAgAAIAYMIgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
(5R)-2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enone

> <PUBCHEM_IUPAC_NAME>
(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ULDHMXUKGWMISQ-SECBINFHSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
150.104

> <PUBCHEM_MOLECULAR_FORMULA>
C10H14O

> <PUBCHEM_MOLECULAR_WEIGHT>
150.218

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC[C@H](CC1=O)C(=C)C

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
150.104

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
5

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
2  5  6

$$$$
