5368743
  DSViewer          3D                             0

 40 41  0  0  0  0  0  0  0  0999 V2000
    5.2185   -4.8964   -0.0740 O   0  0  0  0  0  0  0  0  0  1
    5.2393    1.6805   -0.3095 C   0  0  3  0  0  0  0  0  0  2
    4.5886    2.8638    0.4018 C   0  0  3  0  0  0  0  0  0  3
    3.8732    1.5008   -1.0238 C   0  0  3  0  0  0  0  0  0  4
    3.6901    3.0454   -0.8291 C   0  0  0  0  0  0  0  0  0  5
    3.6767    2.4363    1.6052 C   0  0  0  0  0  0  0  0  0  6
    5.7890    0.5210    0.5861 C   0  0  0  0  0  0  0  0  0  7
    2.8343    0.8602   -0.1329 C   0  0  0  0  0  0  0  0  0  8
    6.3209    2.1538   -1.3059 C   0  0  0  0  0  0  0  0  0  9
    2.7173    1.3161    1.1313 C   0  0  0  0  0  0  0  0  0 10
    6.1421   -0.7023   -0.2881 C   0  0  0  0  0  0  0  0  0 11
    1.9312   -0.2199   -0.6494 C   0  0  0  0  0  0  0  0  0 12
    6.8783   -1.7149    0.5426 C   0  0  0  0  0  0  0  0  0 13
    6.5628   -3.0096    0.5066 C   0  0  0  0  0  0  0  0  0 14
    5.4155   -3.5020   -0.3307 C   0  0  0  0  0  0  0  0  0 15
    7.3436   -3.9836    1.3394 C   0  0  0  0  0  0  0  0  0 16
    5.2750    3.6987    0.5975 H   0  0  0  0  0  0  0  0  0 17
    3.9227    1.1604   -2.0692 H   0  0  0  0  0  0  0  0  0 18
    2.6711    3.3679   -0.6155 H   0  0  0  0  0  0  0  0  0 19
    4.1094    3.6653   -1.6216 H   0  0  0  0  0  0  0  0  0 20
    4.2971    2.0660    2.4214 H   0  0  0  0  0  0  0  0  0 21
    3.0975    3.2935    1.9484 H   0  0  0  0  0  0  0  0  0 22
    6.6835    0.8615    1.1078 H   0  0  0  0  0  0  0  0  0 23
    5.0293    0.2366    1.3142 H   0  0  0  0  0  0  0  0  0 24
    6.7665    1.2888   -1.7971 H   0  0  0  0  0  0  0  0  0 25
    7.0937    2.7044   -0.7695 H   0  0  0  0  0  0  0  0  0 26
    5.8666    2.8024   -2.0549 H   0  0  0  0  0  0  0  0  0 27
    1.9646    0.9055    1.8043 H   0  0  0  0  0  0  0  0  0 28
    5.2262   -1.1478   -0.6765 H   0  0  0  0  0  0  0  0  0 29
    6.7732   -0.3855   -1.1184 H   0  0  0  0  0  0  0  0  0 30
    1.2603   -0.5444    0.1459 H   0  0  0  0  0  0  0  0  0 31
    2.5310   -1.0656   -0.9858 H   0  0  0  0  0  0  0  0  0 32
    1.3451    0.1643   -1.4843 H   0  0  0  0  0  0  0  0  0 33
    7.6898   -1.3830    1.1902 H   0  0  0  0  0  0  0  0  0 34
    5.6429   -3.3531   -1.3863 H   0  0  0  0  0  0  0  0  0 35
    4.5112   -2.9512   -0.0721 H   0  0  0  0  0  0  0  0  0 36
    6.9512   -4.9890    1.1870 H   0  0  0  0  0  0  0  0  0 37
    7.2548   -3.7153    2.3921 H   0  0  0  0  0  0  0  0  0 38
    8.3927   -3.9551    1.0448 H   0  0  0  0  0  0  0  0  0 39
    4.4413   -5.2230   -0.5901 H   0  0  0  0  0  0  0  0  0 40
  1 15  1  0  0  0
  1 40  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  7  1  0  0  0
  2  9  1  0  0  0
  3  5  1  0  0  0
  3  6  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  4 18  1  0  0  0
  5 19  1  0  0  0
  5 20  1  0  0  0
  6 10  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7 11  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8 10  2  0  0  0
  8 12  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 28  1  0  0  0
 11 13  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5368743

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
326

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAABgAAAAAAAgQAAAAAAAAAAAAAAAGgAACAAADwCggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAUAAAgAAIEAMAgMAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-5-(4,6-dimethyl-6-bicyclo[3.1.1]hept-3-enyl)-2-methyl-pent-2-en-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(Z)-5-(4,6-dimethyl-6-bicyclo[3.1.1]hept-3-enyl)-2-methyl-2-penten-1-ol

> <PUBCHEM_IUPAC_NAME>
(Z)-5-(4,6-dimethyl-6-bicyclo[3.1.1]hept-3-enyl)-2-methylpent-2-en-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-5-(4,6-dimethyl-6-bicyclo[3.1.1]hept-3-enyl)-2-methyl-pent-2-en-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-5-(4,6-dimethyl-6-bicyclo[3.1.1]hept-3-enyl)-2-methyl-pent-2-en-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)13-7-6-12(2)14(15)9-13/h5-6,13-14,16H,4,7-10H2,1-3H3/b11-5-

> <PUBCHEM_IUPAC_INCHIKEY>
JGINTSAQGRHGMG-WZUFQYTHSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
220.183

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC2CC1C2(C)CCC=C(C)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CCC2CC1C2(C)CC/C=C(/C)\CO

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.183

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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

> <PUBCHEM_BONDANNOTATIONS>
2  9  3
3  6  3
4  8  3

$$$$
