106725
 OpenBabel05082101102D

 41 43  0  0  1  0  0  0  0  0999 V2000
    7.8802   -0.3627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3802   -1.2287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9813    1.0122    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2401    1.9781    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2666    1.3599    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6086    0.4202    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3802    0.5034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5035    2.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6390    1.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2732    1.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8237   -0.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8802   -0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3802   -1.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8802   -2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3802   -1.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3802   -2.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4428    1.4262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6095    2.4761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1613    1.9709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9241   -0.1135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9949    0.5843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8213    3.4931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8904    3.0527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2330    1.2915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8340    2.0579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3152    1.9412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6624    1.4294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442   -0.8095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2602   -0.3627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174    0.1547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7976   -1.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4879   -1.8393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3552   -2.4932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3552   -1.6962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3802   -1.8487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0002   -1.2287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3802   -0.6087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8433   -2.6507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0702   -3.4977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9172   -3.2707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 20  1  0  0  0  0
  6 11  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 13  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  2  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
106725

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
293

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAAYMEAAAwAAAAAAAQAAAAAAAAGgAAAAAADQCwgAMCCAAABACAACBCAAAAAAAgAAAICAAAAAgQAAIAAQAiAAAEgAAMAAOAwPAOgAAAAAAAAACAAAQAACAAAQAACAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
9-(diethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_CAS_NAME>
9-(diethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
9-(diethoxymethyl)tricyclo[5.2.1.0<SUP>2,6</SUP>]dec-3-ene

>  <PUBCHEM_IUPAC_NAME>
9-(diethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
9-(diethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
9-(diethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O2/c1-3-16-15(17-4-2)14-9-10-8-13(14)12-7-5-6-11(10)12/h5,7,10-15H,3-4,6,8-9H2,1-2H3

>  <PUBCHEM_IUPAC_INCHIKEY>
NFJHOPJJPMLCRF-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
3.2

>  <PUBCHEM_EXACT_MASS>
236.17763

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H24O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
236.35

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC(C1CC2CC1C3C2CC=C3)OCC

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC(C1CC2CC1C3C2CC=C3)OCC

>  <PUBCHEM_CACTVS_TPSA>
18.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
236.17763

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
17

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
5

>  <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>
3  8  3
4  8  3
5  10  3
6  11  3
7  12  3

$$$$
