1201530
 OpenBabel05082101102D

 27 28  0  0  1  0  0  0  0  0999 V2000
    7.7494   -0.6902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3608   -0.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5009    0.9242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7597   -0.0417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2375    1.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5341    0.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9807   -0.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8098   -0.3482    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4947    0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8608   -0.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9458   -1.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2809    1.7452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9797   -0.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9197    2.4392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8506    1.9988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5392    1.2330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1484    0.6968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    0.0746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1847   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9578    0.7771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8047    1.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3977   -1.2090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5508   -1.4359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3238   -0.5890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4716   -2.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3984   -2.1979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2244   -0.2917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  6  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  1  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8  1  1  0  0  0  0
  8 18  1  6  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
1201530

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
205

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAABgAAAAAAAwYAAAAAAAAAAAAAAAGgAACAAADxSggAICAAAAAgCAAgBCAAAAAAAgAAAAAAAAAAgAFAIAAQAAQAAEgAAAEAGAwPAPgAAAAAAAAABAAAIAACAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,3R,5S)-6,6-dimethyl-2-methylene-norpinan-3-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
(1S,3R,5S)-6,6-dimethyl-2-methylene-3-bicyclo[3.1.1]heptanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,3<I>R</I>,5<I>S</I>)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol

>  <PUBCHEM_IUPAC_NAME>
(1S,3R,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,3R,5S)-6,6-dimethyl-2-methylidene-bicyclo[3.1.1]heptan-3-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,3R,5S)-6,6-dimethyl-2-methylene-norpinan-3-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3/t7-,8+,9+/m0/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
LCYXQUJDODZYIJ-DJLDLDEBSA-N

>  <PUBCHEM_XLOGP3_AA>
1.8

>  <PUBCHEM_EXACT_MASS>
152.120115

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

>  <PUBCHEM_MOLECULAR_WEIGHT>
152.23

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CC1C(=C)C(C2)O)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1([C@H]2C[C@@H]1C(=C)[C@@H](C2)O)C

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
152.120115

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

>  <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>
8  1  5
3  12  6
4  13  5

$$$$
