3033866
  DSViewer          3D                             0

 39 39  0  0  0  0  0  0  0  0999 V2000
    2.6937   -1.2597    0.0553 C   0  0  0  0  0  0  0  0  0  1
    1.3785   -1.9788    0.1501 C   0  0  0  0  0  0  0  0  0  2
    1.4313   -3.3902   -0.4600 C   0  0  0  0  0  0  0  0  0  3
    3.9963   -2.0230    0.0053 C   0  0  0  0  0  0  0  0  0  4
    2.7118    0.0761    0.0534 C   0  0  0  0  0  0  0  0  0  5
    2.6568   -4.1407   -0.0418 C   0  0  0  0  0  0  0  0  0  6
    4.0290    0.8184   -0.0180 C   0  0  0  0  0  0  0  0  0  7
    3.8191   -3.5182    0.1590 C   0  0  0  0  0  0  0  0  0  8
    3.7853    2.3409    0.0078 C   0  0  0  0  0  0  0  0  0  9
    1.4150    0.8468    0.1251 C   0  0  0  0  0  0  0  0  0 10
    2.5948   -5.6346    0.0831 C   0  0  0  0  0  0  0  0  0 11
    5.0979    3.0695   -0.0517 C   0  0  0  0  0  0  0  0  0 12
    5.1325    4.4024   -0.0305 C   0  0  0  0  0  0  0  0  0 13
    6.4519    5.1150   -0.0892 C   0  0  0  0  0  0  0  0  0 14
    3.8568    5.1980    0.0529 C   0  0  0  0  0  0  0  0  0 15
    1.1016   -2.0629    1.2010 H   0  0  0  0  0  0  0  0  0 16
    0.6238   -1.3975   -0.3797 H   0  0  0  0  0  0  0  0  0 17
    0.5515   -3.9460   -0.1356 H   0  0  0  0  0  0  0  0  0 18
    1.4266   -3.3033   -1.5465 H   0  0  0  0  0  0  0  0  0 19
    4.4750   -1.8280   -0.9543 H   0  0  0  0  0  0  0  0  0 20
    4.6377   -1.6659    0.8111 H   0  0  0  0  0  0  0  0  0 21
    4.6465    0.5384    0.8355 H   0  0  0  0  0  0  0  0  0 22
    4.5426    0.5519   -0.9417 H   0  0  0  0  0  0  0  0  0 23
    4.6838   -4.1156    0.4478 H   0  0  0  0  0  0  0  0  0 24
    3.1757    2.6239   -0.8504 H   0  0  0  0  0  0  0  0  0 25
    3.2650    2.6081    0.9276 H   0  0  0  0  0  0  0  0  0 26
    1.6260    1.9161    0.1127 H   0  0  0  0  0  0  0  0  0 27
    0.8902    0.5913    1.0457 H   0  0  0  0  0  0  0  0  0 28
    0.7914    0.5902   -0.7313 H   0  0  0  0  0  0  0  0  0 29
    3.5679   -6.0143    0.3946 H   0  0  0  0  0  0  0  0  0 30
    2.3270   -6.0694   -0.8799 H   0  0  0  0  0  0  0  0  0 31
    1.8446   -5.9069    0.8255 H   0  0  0  0  0  0  0  0  0 32
    6.0282    2.5048   -0.1125 H   0  0  0  0  0  0  0  0  0 33
    6.2854    6.1918   -0.0617 H   0  0  0  0  0  0  0  0  0 34
    6.9672    4.8511   -1.0128 H   0  0  0  0  0  0  0  0  0 35
    7.0628    4.8204    0.7641 H   0  0  0  0  0  0  0  0  0 36
    4.0915    6.2623    0.0585 H   0  0  0  0  0  0  0  0  0 37
    3.3256    4.9388    0.9688 H   0  0  0  0  0  0  0  0  0 38
    3.2285    4.9695   -0.8080 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>
3033866

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4Z)-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-CCEZHUSRSA-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

$$$$
