10702081
 OpenBabel05082101102D

 29 29  0  0  1  0  0  0  0  0999 V2000
    7.1485    0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9086    0.4907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3395    0.1816    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6485   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884    0.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6485   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9575    0.1816    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6453   -0.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    0.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2425    0.7940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0420   -0.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7133   -1.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6795    1.0381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8998    0.8724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837   -1.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2549   -0.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0545    0.7940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -0.7259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1338   -0.5602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9853    0.6780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2056    0.5122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6600   -1.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4396   -0.9203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3693    0.0758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916    0.3601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -0.8192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  7  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
10702081

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
104

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSwgAMCCAAABgAAAAAAAAAAAAAAAAAAAAAAAAAQEAIAAAACQAAEAAAEAAHAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
5-pentyltetrahydrofuran-2-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
5-pentyl-2-oxolanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
5-pentyloxolan-2-ol

>  <PUBCHEM_IUPAC_NAME>
5-pentyloxolan-2-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-pentyloxolan-2-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-amyltetrahydrofuran-2-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8-10H,2-7H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
FAPYUVKMJWJMEH-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.4

>  <PUBCHEM_EXACT_MASS>
158.13068

>  <PUBCHEM_MOLECULAR_FORMULA>
C9H18O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
158.24

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCC1CCC(O1)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCC1CCC(O1)O

>  <PUBCHEM_CACTVS_TPSA>
29.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
158.13068

>  <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>
7  2  3
3  5  3

$$$$
