54107434
  DSViewer          3D                             0

 25 25  0  0  0  0  0  0  0  0999 V2000
    1.2846   -1.9053   -0.0465 O   0  0  0  0  0  0  0  0  0  1
    3.6469   -2.0436    0.0535 C   0  0  3  0  0  0  0  0  0  2
    4.7124   -1.2532   -0.6986 C   0  0  0  0  0  0  0  0  0  3
    4.8540    0.1531   -0.0773 C   0  0  0  0  0  0  0  0  0  4
    3.5128    0.8605   -0.0145 C   0  0  0  0  0  0  0  0  0  5
    2.3577   -1.2925   -0.0167 C   0  0  0  0  0  0  0  0  0  6
    3.4716   -3.4673   -0.5045 C   0  0  0  0  0  0  0  0  0  7
    2.3661    0.1728   -0.0045 C   0  0  0  0  0  0  0  0  0  8
    3.4706    2.3253    0.0497 C   0  0  0  0  0  0  0  0  0  9
    4.7475    3.1181    0.0474 C   0  0  0  0  0  0  0  0  0 10
    2.3000    2.9563    0.1085 C   0  0  0  0  0  0  0  0  0 11
    3.9571   -2.1095    1.1061 H   0  0  0  0  0  0  0  0  0 12
    5.6662   -1.7764   -0.6313 H   0  0  0  0  0  0  0  0  0 13
    4.4220   -1.1591   -1.7450 H   0  0  0  0  0  0  0  0  0 14
    5.2534    0.0575    0.9323 H   0  0  0  0  0  0  0  0  0 15
    5.5394    0.7434   -0.6854 H   0  0  0  0  0  0  0  0  0 16
    2.7021   -3.9889    0.0646 H   0  0  0  0  0  0  0  0  0 17
    4.4138   -4.0090   -0.4219 H   0  0  0  0  0  0  0  0  0 18
    3.1744   -3.4135   -1.5518 H   0  0  0  0  0  0  0  0  0 19
    1.4193    0.7126    0.0129 H   0  0  0  0  0  0  0  0  0 20
    4.5154    4.1818    0.0998 H   0  0  0  0  0  0  0  0  0 21
    5.3018    2.9123   -0.8683 H   0  0  0  0  0  0  0  0  0 22
    5.3525    2.8359    0.9091 H   0  0  0  0  0  0  0  0  0 23
    1.3721    2.3844    0.1089 H   0  0  0  0  0  0  0  0  0 24
    2.2694    4.0448    0.1562 H   0  0  0  0  0  0  0  0  0 25
  1  6  2  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2  7  1  0  0  0
  2 12  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  3 14  1  0  0  0
  4  5  1  0  0  0
  4 15  1  0  0  0
  4 16  1  0  0  0
  5  8  2  0  0  0
  5  9  1  0  0  0
  6  8  1  0  0  0
  7 17  1  0  0  0
  7 18  1  0  0  0
  7 19  1  0  0  0
  8 20  1  0  0  0
  9 10  1  0  0  0
  9 11  2  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>
54107434

> <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>
AAADccBwIAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAAAAAADQSAgAACAAAAAACIAqBSAAAAAAAgAAAACAEAAEgIABIAAQAAAAAAgAAIgQMIiMCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-isopropenyl-6-methyl-cyclohex-2-en-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
6-methyl-3-(1-methylethenyl)-1-cyclohex-2-enone

> <PUBCHEM_IUPAC_NAME>
6-methyl-3-prop-1-en-2-ylcyclohex-2-en-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-methyl-3-prop-1-en-2-yl-cyclohex-2-en-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-isopropenyl-6-methyl-cyclohex-2-en-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h6,8H,1,4-5H2,2-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
NETFCXRVZRPAMW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
150.104

> <PUBCHEM_MOLECULAR_FORMULA>
C10H14O

> <PUBCHEM_MOLECULAR_WEIGHT>
150.218

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCC(=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>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  7  3

$$$$
