5352437
  DSViewer          3D                             0

 39 39  0  0  0  0  0  0  0  0999 V2000
    4.8424   -1.2577   -0.0288 C   0  0  0  0  0  0  0  0  0  1
    3.5602   -2.0283   -0.1624 C   0  0  0  0  0  0  0  0  0  2
    3.6652   -3.4515    0.4176 C   0  0  0  0  0  0  0  0  0  3
    6.1755   -1.9666    0.0167 C   0  0  0  0  0  0  0  0  0  4
    4.8117    0.0771    0.0143 C   0  0  0  0  0  0  0  0  0  5
    4.9317   -4.1400    0.0093 C   0  0  0  0  0  0  0  0  0  6
    3.4902    0.8139   -0.0490 C   0  0  0  0  0  0  0  0  0  7
    6.0676   -3.4635   -0.1625 C   0  0  0  0  0  0  0  0  0  8
    3.7307    2.3363    0.0123 C   0  0  0  0  0  0  0  0  0  9
    6.1016    0.8539    0.1282 C   0  0  0  0  0  0  0  0  0 10
    4.9418   -5.6332   -0.1368 C   0  0  0  0  0  0  0  0  0 11
    2.4201    3.0685   -0.0417 C   0  0  0  0  0  0  0  0  0 12
    2.3917    4.4015   -0.0153 C   0  0  0  0  0  0  0  0  0 13
    1.0759    5.1211   -0.0685 C   0  0  0  0  0  0  0  0  0 14
    3.6717    5.1906    0.0674 C   0  0  0  0  0  0  0  0  0 15
    2.7731   -1.4920    0.3677 H   0  0  0  0  0  0  0  0  0 16
    3.3036   -2.0996   -1.2193 H   0  0  0  0  0  0  0  0  0 17
    3.6350   -3.3896    1.5054 H   0  0  0  0  0  0  0  0  0 18
    2.8176   -4.0378    0.0628 H   0  0  0  0  0  0  0  0  0 19
    6.8054   -1.5683   -0.7787 H   0  0  0  0  0  0  0  0  0 20
    6.6395   -1.7673    0.9826 H   0  0  0  0  0  0  0  0  0 21
    2.9834    0.5661   -0.9816 H   0  0  0  0  0  0  0  0  0 22
    2.8685    0.5127    0.7941 H   0  0  0  0  0  0  0  0  0 23
    6.9626   -4.0172   -0.4462 H   0  0  0  0  0  0  0  0  0 24
    4.2433    2.5830    0.9421 H   0  0  0  0  0  0  0  0  0 25
    4.3474    2.6381   -0.8342 H   0  0  0  0  0  0  0  0  0 26
    5.8828    1.9214    0.1495 H   0  0  0  0  0  0  0  0  0 27
    6.7374    0.6309   -0.7286 H   0  0  0  0  0  0  0  0  0 28
    6.6170    0.5708    1.0460 H   0  0  0  0  0  0  0  0  0 29
    5.9364   -5.9627   -0.4372 H   0  0  0  0  0  0  0  0  0 30
    4.2171   -5.9295   -0.8953 H   0  0  0  0  0  0  0  0  0 31
    4.6792   -6.0938    0.8156 H   0  0  0  0  0  0  0  0  0 32
    1.4877    2.5074   -0.1029 H   0  0  0  0  0  0  0  0  0 33
    1.2481    6.1969   -0.0370 H   0  0  0  0  0  0  0  0  0 34
    0.4652    4.8263    0.7850 H   0  0  0  0  0  0  0  0  0 35
    0.5574    4.8635   -0.9920 H   0  0  0  0  0  0  0  0  0 36
    3.4423    6.2561    0.0778 H   0  0  0  0  0  0  0  0  0 37
    4.2962    4.9624   -0.7964 H   0  0  0  0  0  0  0  0  0 38
    4.2044    4.9252    0.9806 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  4  1  0  0  0
  1  5  2  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  6  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  8  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5  7  1  0  0  0
  5 10  1  0  0  0
  6  8  2  0  0  0
  6 11  1  0  0  0
  7  9  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8 24  1  0  0  0
  9 12  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5352437

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
296

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGAAAAAAADACAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4E)-4-(1,5-dimethylhex-4-enylidene)-1-methyl-cyclohexene

> <PUBCHEM_IUPAC_CAS_NAME>
(4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene

> <PUBCHEM_IUPAC_NAME>
(4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4E)-4-(1,5-dimethylhex-4-enylidene)-1-methyl-cyclohexene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14-

> <PUBCHEM_IUPAC_INCHIKEY>
XBGUIVFBMBVUEG-PFONDFGASA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC/C(=C(\C)/CCC=C(C)C)/CC1

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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

$$$$
