6428574
 OpenBabel05082101102D

 30 30  0  0  1  0  0  0  0  0999 V2000
    3.8660   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.8730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.3730    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7320   -0.6270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8660    0.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -1.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2320    0.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426    0.2654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441    0.9556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631   -1.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -2.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369   -1.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6951   -1.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5420   -2.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7690   -1.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0420   -1.1639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    1.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8520    0.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9220    0.7760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  2  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  1  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  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
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
6428574

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
186

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAACAAADFSggAICAAAABgCAACBCAAAAAAAgAAAIAAAAAAgBFAIAIAACQAAEgAADIAHAwFAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(3R,6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
(3R,6R)-6-ethenyl-2,2,6-trimethyl-3-oxanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>R</I>,6<I>R</I>)-6-ethenyl-2,2,6-trimethyloxan-3-ol

>  <PUBCHEM_IUPAC_NAME>
(3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3R,6R)-6-ethenyl-2,2,6-trimethyl-oxan-3-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3R,6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m1/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
BCTBAGTXFYWYMW-SCZZXKLOSA-N

>  <PUBCHEM_XLOGP3_AA>
1.4

>  <PUBCHEM_EXACT_MASS>
170.13068

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H18O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
170.25

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C(CCC(O1)(C)C=C)O)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@]1(CC[C@H](C(O1)(C)C)O)C=C

>  <PUBCHEM_CACTVS_TPSA>
29.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
170.13068

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
12

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <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>
4  2  6
5  10  5

$$$$
