14379831
 OpenBabel05082101102D

 27 27  0  0  1  0  0  0  0  0999 V2000
    3.0878   -0.1807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.3582    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5878    1.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    0.4071    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2788    0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    0.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0558   -0.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0068   -1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2147   -2.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -0.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8693    1.9106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1942    1.4871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5230    1.9748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9938   -0.2052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7124    0.6593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9688   -0.1298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016    2.5316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356    2.6688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    1.8028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086    0.5130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5950   -1.2949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6083   -2.2961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3436   -2.7736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8212   -2.0383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3396   -0.7115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6211    0.0865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  1  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  6  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  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
 11 27  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
14379831

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
170

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADRSggAICAAAABACAAiBCAAAAAAAgAAAICAAAAAgIBAIAIQACEAAEgAAIoAKAAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]tetrahydrofuran

>  <PUBCHEM_IUPAC_CAS_NAME>
(2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>S</I>,4<I>R</I>)-4-methyl-2-[(1<I>E</I>)-3-methylbuta-1,3-dienyl]oxolane

>  <PUBCHEM_IUPAC_NAME>
(2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]tetrahydrofuran

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O/c1-8(2)4-5-10-6-9(3)7-11-10/h4-5,9-10H,1,6-7H2,2-3H3/b5-4+/t9-,10-/m1/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
SULWOTZUSYCRIP-NUNSBDKSSA-N

>  <PUBCHEM_XLOGP3_AA>
2.9

>  <PUBCHEM_EXACT_MASS>
152.120115

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

>  <PUBCHEM_MOLECULAR_WEIGHT>
152.23

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CC(OC1)C=CC(=C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1C[C@H](OC1)/C=C/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>
2

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

>  <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  6
4  7  5

$$$$
