16063533
 OpenBabel05082101102D

 39 39  0  0  1  0  0  0  0  0999 V2000
    2.4608   -0.6341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6092    0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8002   -0.2229    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1092   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4182   -0.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8492    0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1092   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1970    1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0214    1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060   -0.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3693    0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550   -0.2740    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6412    1.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118   -0.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9470    0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7032    0.3895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5028   -1.3028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1740   -1.7905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4736   -1.6755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6986    0.8095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5614    1.6755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6954    1.5384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5230    1.5384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6570    1.6755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5198    0.8095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8149   -1.1304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5946   -0.9647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6157    0.1409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5609   -0.5035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9590    0.2777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1777    0.6758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1020    1.4792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0516    1.2559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207   -1.4905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9004   -1.3248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5535    0.8331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8181    1.3106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3406    0.5753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 28  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
16063533

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
273

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGgAACAAADwCggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAEAIAAQAAQAAEgAAIAAOAwPAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-1-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
2-methyl-4-(2,2,3-trimethyl-1-cyclopent-3-enyl)-4-penten-1-ol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-1-ol

>  <PUBCHEM_IUPAC_NAME>
2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-1-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-1-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-1-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H24O/c1-10(9-15)8-11(2)13-7-6-12(3)14(13,4)5/h6,10,13,15H,2,7-9H2,1,3-5H3

>  <PUBCHEM_IUPAC_INCHIKEY>
DGHXZJZALPECTJ-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
3.7

>  <PUBCHEM_EXACT_MASS>
208.182715

>  <PUBCHEM_MOLECULAR_FORMULA>
C14H24O

>  <PUBCHEM_MOLECULAR_WEIGHT>
208.34

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC(C1(C)C)C(=C)CC(C)CO

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CCC(C1(C)C)C(=C)CC(C)CO

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
208.182715

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
15

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

>  <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

>  <PUBCHEM_BONDANNOTATIONS>
12  15  3
3  6  3

$$$$
