155007
 OpenBabel05082101102D

 28 28  0  0  1  0  0  0  0  0999 V2000
    5.4543   -0.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    0.3780    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2633    0.3780    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9543    1.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9543    1.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    0.0690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2144    0.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8511   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4863   -0.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4443   -1.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5483   -0.2344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0191    1.9457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3478    1.4580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5607    1.4580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8895    1.9457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1046   -0.1226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4059    0.0974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8040    0.8786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0228    1.2767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4677   -0.3662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8798   -0.7803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3574   -1.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0927   -1.0381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    1.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8277   -1.4094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8088   -1.8462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2 11  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 12  2  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
155007

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
188

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADVSggAICAAAABACIAChSgAAAAAAgAAAIAAEAAAgABBYAIAACAAAEoAAAIAGIyFCMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(5-methyl-5-vinyl-tetrahydrofuran-2-yl)propanal

>  <PUBCHEM_IUPAC_CAS_NAME>
2-(5-ethenyl-5-methyl-2-oxolanyl)propanal

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2-(5-ethenyl-5-methyloxolan-2-yl)propanal

>  <PUBCHEM_IUPAC_NAME>
2-(5-ethenyl-5-methyloxolan-2-yl)propanal

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(5-ethenyl-5-methyl-oxolan-2-yl)propanal

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(5-methyl-5-vinyl-tetrahydrofuran-2-yl)propionaldehyde

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
YPZQHCLBLRWNMJ-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1.5

>  <PUBCHEM_EXACT_MASS>
168.11503

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H16O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
168.23

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C=O)C1CCC(O1)(C)C=C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C=O)C1CCC(O1)(C)C=C

>  <PUBCHEM_CACTVS_TPSA>
26.3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
168.11503

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
12

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

>  <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  5  3
4  8  3
7  10  3

$$$$
