443167
  DSViewer          3D                             0

 27 27  0  0  0  0  0  0  0  0999 V2000
    1.4642   -1.8931    0.5949 O   0  0  0  0  0  0  0  0  0  1
    3.6897    0.9262    0.0375 C   0  0  2  0  0  0  0  0  0  2
    4.8715    0.1801   -0.6086 C   0  0  0  0  0  0  0  0  0  3
    3.7193   -2.0413   -0.1351 C   0  0  1  0  0  0  0  0  0  4
    4.9791   -1.1849    0.1106 C   0  0  0  0  0  0  0  0  0  5
    2.3476    0.1777   -0.1683 C   0  0  0  0  0  0  0  0  0  6
    2.4660   -1.2741    0.2219 C   0  0  0  0  0  0  0  0  0  7
    3.6000    2.3373   -0.4877 C   0  0  0  0  0  0  0  0  0  8
    3.6542   -2.3612   -1.6475 C   0  0  0  0  0  0  0  0  0  9
    4.8476    3.1574   -0.6541 C   0  0  0  0  0  0  0  0  0 10
    2.4156    2.8698   -0.7847 C   0  0  0  0  0  0  0  0  0 11
    3.9253    0.9720    1.1100 H   0  0  0  0  0  0  0  0  0 12
    4.6856    0.0310   -1.6722 H   0  0  0  0  0  0  0  0  0 13
    5.7922    0.7483   -0.4763 H   0  0  0  0  0  0  0  0  0 14
    3.7602   -2.9935    0.4128 H   0  0  0  0  0  0  0  0  0 15
    5.8515   -1.7184   -0.2666 H   0  0  0  0  0  0  0  0  0 16
    5.0912   -1.0153    1.1815 H   0  0  0  0  0  0  0  0  0 17
    1.5802    0.6490    0.4457 H   0  0  0  0  0  0  0  0  0 18
    2.0629    0.2410   -1.2186 H   0  0  0  0  0  0  0  0  0 19
    2.7720   -2.9672   -1.8536 H   0  0  0  0  0  0  0  0  0 20
    4.5485   -2.9105   -1.9421 H   0  0  0  0  0  0  0  0  0 21
    3.5962   -1.4317   -2.2139 H   0  0  0  0  0  0  0  0  0 22
    4.5867    4.1421   -1.0418 H   0  0  0  0  0  0  0  0  0 23
    5.5202    2.6592   -1.3523 H   0  0  0  0  0  0  0  0  0 24
    5.3424    3.2669    0.3110 H   0  0  0  0  0  0  0  0  0 25
    1.5057    2.2854   -0.6484 H   0  0  0  0  0  0  0  0  0 26
    2.3564    3.8900   -1.1639 H   0  0  0  0  0  0  0  0  0 27
  1  7  2  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2  8  1  0  0  0
  2 12  1  0  0  0
  3  5  1  0  0  0
  3 13  1  0  0  0
  3 14  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4  9  1  0  0  0
  4 15  1  0  0  0
  5 16  1  0  0  0
  5 17  1  0  0  0
  6  7  1  0  0  0
  6 18  1  0  0  0
  6 19  1  0  0  0
  8 10  1  0  0  0
  8 11  2  0  0  0
  9 20  1  0  0  0
  9 21  1  0  0  0
  9 22  1  0  0  0
 10 23  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
443167

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
181

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAAAAAADQSAgAACAAAAAACIAoBSAAAAAAAgAAAAAAEAAAgAABIAAQAAAAAAgAAAAAEIiMCOAAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S,5R)-5-isopropenyl-2-methyl-cyclohexanone

> <PUBCHEM_IUPAC_CAS_NAME>
(2S,5R)-2-methyl-5-(1-methylethenyl)-1-cyclohexanone

> <PUBCHEM_IUPAC_NAME>
(2S,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S,5R)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S,5R)-5-isopropenyl-2-methyl-cyclohexanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
AZOCECCLWFDTAP-DTWKUNHWSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
152.12

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

> <PUBCHEM_MOLECULAR_WEIGHT>
152.233

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC(CC1=O)C(=C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1CC[C@H](CC1=O)C(=C)C

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
152.12

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
2  8  6
4  9  6

$$$$
