61665
 OpenBabel05082101102D

 27 27  0  0  1  0  0  0  0  0999 V2000
    4.5032   -0.2020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.3858    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0032    1.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032    1.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    0.3858    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2633    0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    0.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352   -0.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4933   -1.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6097    1.4657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9384    1.9534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0680    1.9534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3968    1.4657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5972   -0.2266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4549    0.1051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8530    0.8864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0717    1.2844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5166   -0.3585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149    1.2066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392    1.1607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    0.2851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9456   -1.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9960   -1.3163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8767   -1.4016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8577   -1.8384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 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
 11 27  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
61665

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
183

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADFSggAICAAAABACAAiBCAAAAAAAgAAAIAAAAAAgABAIAIQACAAAEgAAAIAGAwEAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
5-isopropenyl-2-methyl-2-vinyl-tetrahydrofuran

>  <PUBCHEM_IUPAC_CAS_NAME>
2-ethenyl-2-methyl-5-(1-methylethenyl)oxolane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2-ethenyl-2-methyl-5-prop-1-en-2-yloxolane

>  <PUBCHEM_IUPAC_NAME>
2-ethenyl-2-methyl-5-prop-1-en-2-yloxolane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-ethenyl-2-methyl-5-prop-1-en-2-yl-oxolane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-isopropenyl-2-methyl-2-vinyl-tetrahydrofuran

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,9H,1-2,6-7H2,3-4H3

>  <PUBCHEM_IUPAC_INCHIKEY>
XIGFNCYVSHOLIF-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.7

>  <PUBCHEM_EXACT_MASS>
152.120115

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

>  <PUBCHEM_MOLECULAR_WEIGHT>
152.23

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

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

>  <PUBCHEM_CACTVS_TPSA>
9.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
152.120115

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <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>
2  6  3
5  7  3

$$$$
