62913
  DSViewer          3D                             0

 25 25  0  0  0  0  0  0  0  0999 V2000
    4.5039   -1.0262   -0.9648 O   0  0  0  0  0  0  0  0  0  1
    5.5740   -0.5815   -0.1122 C   0  0  3  0  0  0  0  0  0  2
    3.4324   -0.5813   -0.1141 C   0  0  3  0  0  0  0  0  0  3
    5.2733    0.9189    0.0704 C   0  0  0  0  0  0  0  0  0  4
    3.7330    0.9190    0.0690 C   0  0  0  0  0  0  0  0  0  5
    6.9906   -0.8405   -0.6575 C   0  0  0  0  0  0  0  0  0  6
    2.0168   -0.8401   -0.6619 C   0  0  0  0  0  0  0  0  0  7
    8.0358   -0.3036    0.3387 C   0  0  0  0  0  0  0  0  0  8
    0.9698   -0.3031    0.3325 C   0  0  0  0  0  0  0  0  0  9
    3.5561   -1.0939    0.8503 H   0  0  0  0  0  0  0  0  0 10
    5.4486   -1.0940    0.8520 H   0  0  0  0  0  0  0  0  0 11
    3.3347    1.5094   -0.7561 H   0  0  0  0  0  0  0  0  0 12
    3.3331    1.2941    1.0111 H   0  0  0  0  0  0  0  0  0 13
    5.6716    1.2940    1.0131 H   0  0  0  0  0  0  0  0  0 14
    5.6732    1.5093   -0.7541 H   0  0  0  0  0  0  0  0  0 15
    1.9005   -0.3328   -1.6196 H   0  0  0  0  0  0  0  0  0 16
    1.8712   -1.9118   -0.7978 H   0  0  0  0  0  0  0  0  0 17
    7.1363   -1.9122   -0.7931 H   0  0  0  0  0  0  0  0  0 18
    7.1086   -0.3332   -1.6150 H   0  0  0  0  0  0  0  0  0 19
    9.0373   -0.4883   -0.0499 H   0  0  0  0  0  0  0  0  0 20
    7.9193   -0.8103    1.2967 H   0  0  0  0  0  0  0  0  0 21
    7.8916    0.7682    0.4751 H   0  0  0  0  0  0  0  0  0 22
   -0.0310   -0.4877   -0.0578 H   0  0  0  0  0  0  0  0  0 23
    1.1140    0.7687    0.4691 H   0  0  0  0  0  0  0  0  0 24
    1.0847   -0.8098    1.2907 H   0  0  0  0  0  0  0  0  0 25
  1  2  1  0  0  0
  1  3  1  0  0  0
  2  4  1  0  0  0
  2  6  1  0  0  0
  2 11  1  0  0  0
  3  5  1  0  0  0
  3  7  1  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4 14  1  0  0  0
  4 15  1  0  0  0
  5 12  1  0  0  0
  5 13  1  0  0  0
  6  8  1  0  0  0
  6 18  1  0  0  0
  6 19  1  0  0  0
  7  9  1  0  0  0
  7 16  1  0  0  0
  7 17  1  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62913

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
70.6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAICAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAACAAAEAAAAAAGAwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,5-diethyltetrahydrofuran

> <PUBCHEM_IUPAC_CAS_NAME>
2,5-diethyloxolane

> <PUBCHEM_IUPAC_NAME>
2,5-diethyloxolane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,5-diethyloxolane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,5-diethyltetrahydrofuran

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H16O/c1-3-7-5-6-8(4-2)9-7/h7-8H,3-6H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
YKWLEIXVUHRKEF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
128.12

> <PUBCHEM_MOLECULAR_FORMULA>
C8H16O

> <PUBCHEM_MOLECULAR_WEIGHT>
128.212

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1CCC(O1)CC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1CCC(O1)CC

> <PUBCHEM_CACTVS_TPSA>
9.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
128.12

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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  11  3
3  10  3

$$$$
