7462
  DSViewer          3D                             0

 26 26  0  0  0  0  0  0  0  0999 V2000
    2.9591    0.9952   -0.0209 C   0  0  0  0  0  0  0  0  0  1
    2.9754    2.5038    0.0555 C   0  0  0  0  0  0  0  0  0  2
    1.6636    0.2669   -0.2653 C   0  0  0  0  0  0  0  0  0  3
    1.6921   -1.1800    0.2824 C   0  0  0  0  0  0  0  0  0  4
    3.0111   -1.8542    0.0343 C   0  0  0  0  0  0  0  0  0  5
    4.1052    0.3204    0.0609 C   0  0  0  0  0  0  0  0  0  6
    4.2455    3.0563   -0.6218 C   0  0  0  0  0  0  0  0  0  7
    1.6943    3.1100   -0.5537 C   0  0  0  0  0  0  0  0  0  8
    4.1319   -1.1399   -0.0487 C   0  0  0  0  0  0  0  0  0  9
    3.0790   -3.3515   -0.0369 C   0  0  0  0  0  0  0  0  0 10
    3.0285    2.7859    1.1166 H   0  0  0  0  0  0  0  0  0 11
    0.8571    0.8117    0.2254 H   0  0  0  0  0  0  0  0  0 12
    1.4784    0.2318   -1.3389 H   0  0  0  0  0  0  0  0  0 13
    1.5085   -1.1524    1.3564 H   0  0  0  0  0  0  0  0  0 14
    0.9062   -1.7558   -0.2064 H   0  0  0  0  0  0  0  0  0 15
    5.0379    0.8639    0.2118 H   0  0  0  0  0  0  0  0  0 16
    4.2465    4.1445   -0.5607 H   0  0  0  0  0  0  0  0  0 17
    4.2616    2.7516   -1.6683 H   0  0  0  0  0  0  0  0  0 18
    5.1277    2.6637   -0.1160 H   0  0  0  0  0  0  0  0  0 19
    1.7370    4.1969   -0.4834 H   0  0  0  0  0  0  0  0  0 20
    0.8241    2.7450   -0.0081 H   0  0  0  0  0  0  0  0  0 21
    1.6154    2.8171   -1.6007 H   0  0  0  0  0  0  0  0  0 22
    5.0834   -1.6495   -0.2005 H   0  0  0  0  0  0  0  0  0 23
    4.1078   -3.6606   -0.2216 H   0  0  0  0  0  0  0  0  0 24
    2.4424   -3.7064   -0.8473 H   0  0  0  0  0  0  0  0  0 25
    2.7364   -3.7765    0.9066 H   0  0  0  0  0  0  0  0  0 26
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  6  2  0  0  0
  2  7  1  0  0  0
  2  8  1  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  4 14  1  0  0  0
  4 15  1  0  0  0
  5  9  2  0  0  0
  5 10  1  0  0  0
  6  9  1  0  0  0
  6 16  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
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 23  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7462

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
171

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGAAAAAAADQCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgIAAIAAQAAAAAAgAAIgAMAgEAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-isopropyl-4-methyl-cyclohexa-1,3-diene

> <PUBCHEM_IUPAC_CAS_NAME>
1-methyl-4-propan-2-ylcyclohexa-1,3-diene

> <PUBCHEM_IUPAC_NAME>
1-methyl-4-propan-2-ylcyclohexa-1,3-diene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methyl-4-propan-2-yl-cyclohexa-1,3-diene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-isopropyl-4-methyl-cyclohexa-1,3-diene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
YHQGMYUVUMAZJR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
136.125

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16

> <PUBCHEM_MOLECULAR_WEIGHT>
136.234

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(CC1)C(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(CC1)C(C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
136.125

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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

$$$$
