22219099
 OpenBabel05082101102D

 37 38  0  0  1  0  0  0  0  0999 V2000
    4.5878   -0.4430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.3660    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5000    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2660    1.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5878    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5388   -0.1340    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0000   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5388    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3479   -0.7218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077    1.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    1.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    0.7646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -0.0325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200    2.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.8521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800    2.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6646    1.3999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7410    2.2734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8675    2.3498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3962    1.7647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4418   -0.7463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   -1.7646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   -0.9675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0404    1.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9834   -1.2234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8494   -1.0862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7123   -0.2202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9631   -1.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900   -2.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0369   -2.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  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
  8 25  1  0  0  0  0
  9 13  2  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
22219099

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
311

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAQAAAAAgAAAAAAAAAAAAAAAAGgAAAAAADlSggAICAAAABACAAiBCAAAAAAAgAAAICAAAAAgABAIAIQACEAAEgAAIIAOAgIAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene

>  <PUBCHEM_IUPAC_CAS_NAME>
10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene

>  <PUBCHEM_IUPAC_NAME>
10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H22O/c1-5-12-7-6-9-13(3,4)14(12)10-8-11(2)15-14/h7-8,10-11H,5-6,9H2,1-4H3

>  <PUBCHEM_IUPAC_INCHIKEY>
NHJSLVJXXDHDRV-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
3.3

>  <PUBCHEM_EXACT_MASS>
206.167065

>  <PUBCHEM_MOLECULAR_FORMULA>
C14H22O

>  <PUBCHEM_MOLECULAR_WEIGHT>
206.32

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=CCCC(C12C=CC(O2)C)(C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=CCCC(C12C=CC(O2)C)(C)C

>  <PUBCHEM_CACTVS_TPSA>
9.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
206.167065

>  <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>
11  14  3
3  9  3

$$$$
