91749656
  DSViewer          3D                             0

 40 41  0  0  0  0  0  0  0  0999 V2000
   11.1935   -2.3868    0.1052 O   0  0  0  0  0  0  0  0  0  1
    4.7745    0.7932   -0.6928 C   0  0  2  0  0  0  0  0  0  2
    4.2887    1.8878    0.2596 C   0  0  3  0  0  0  0  0  0  3
    3.2819    0.5969   -1.0588 C   0  0  3  0  0  0  0  0  0  4
    3.1046    2.1112   -0.6931 C   0  0  0  0  0  0  0  0  0  5
    3.7142    1.3376    1.6128 C   0  0  0  0  0  0  0  0  0  6
    5.5463   -0.4416   -0.1223 C   0  0  0  0  0  0  0  0  0  7
    2.5355   -0.1623    0.0202 C   0  0  0  0  0  0  0  0  0  8
    5.5442    1.3953   -1.8918 C   0  0  0  0  0  0  0  0  0  9
    2.7158    0.1963    1.2934 C   0  0  0  0  0  0  0  0  0 10
    6.9736   -0.0323    0.2976 C   0  0  0  0  0  0  0  0  0 11
    1.5780   -1.2639   -0.3489 C   0  0  0  0  0  0  0  0  0 12
    7.7649   -1.2779    0.5753 C   0  0  0  0  0  0  0  0  0 13
    9.0803   -1.2989    0.3551 C   0  0  0  0  0  0  0  0  0 14
    9.8558   -2.5626    0.5823 C   0  0  0  0  0  0  0  0  0 15
    9.7843   -0.0780   -0.1756 C   0  0  0  0  0  0  0  0  0 16
    4.9722    2.7436    0.3453 H   0  0  0  0  0  0  0  0  0 17
    3.0810    0.3316   -2.1030 H   0  0  0  0  0  0  0  0  0 18
    2.1614    2.3629   -0.2082 H   0  0  0  0  0  0  0  0  0 19
    3.2921    2.8094   -1.5088 H   0  0  0  0  0  0  0  0  0 20
    4.5275    0.9533    2.2285 H   0  0  0  0  0  0  0  0  0 21
    3.2004    2.1372    2.1464 H   0  0  0  0  0  0  0  0  0 22
    5.0132   -0.8292    0.7458 H   0  0  0  0  0  0  0  0  0 23
    5.6046   -1.2147   -0.8885 H   0  0  0  0  0  0  0  0  0 24
    5.8766    0.5931   -2.5505 H   0  0  0  0  0  0  0  0  0 25
    6.4102    1.9480   -1.5276 H   0  0  0  0  0  0  0  0  0 26
    4.8889    2.0695   -2.4432 H   0  0  0  0  0  0  0  0  0 27
    2.1708   -0.3045    2.0936 H   0  0  0  0  0  0  0  0  0 28
    7.4459    0.5313   -0.5069 H   0  0  0  0  0  0  0  0  0 29
    6.9300    0.5832    1.1962 H   0  0  0  0  0  0  0  0  0 30
    1.1429   -1.6864    0.5567 H   0  0  0  0  0  0  0  0  0 31
    2.1121   -2.0433   -0.8925 H   0  0  0  0  0  0  0  0  0 32
    0.7848   -0.8608   -0.9786 H   0  0  0  0  0  0  0  0  0 33
    7.2633   -2.1670    0.9576 H   0  0  0  0  0  0  0  0  0 34
    9.3817   -3.3829    0.0434 H   0  0  0  0  0  0  0  0  0 35
    9.8762   -2.7910    1.6479 H   0  0  0  0  0  0  0  0  0 36
   10.8474   -0.2910   -0.2878 H   0  0  0  0  0  0  0  0  0 37
    9.6518    0.7500    0.5209 H   0  0  0  0  0  0  0  0  0 38
    9.3642    0.1920   -1.1445 H   0  0  0  0  0  0  0  0  0 39
   11.6986   -3.2301    0.2162 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>
91749656

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-5-[(6R)-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+/t13?,14?,15-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
JGINTSAQGRHGMG-PIDYCISJSA-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=CCC2CC1[C@]2(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>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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  6
3  5  3
4  8  3

$$$$
