12314318
  -OEChem-12090815122D

 27 28  0     1  0  0  0  0  0999 V2000
    2.5369   -1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6836   -0.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1105    1.1023    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8517    0.1364    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3739    2.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5075    0.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3165   -1.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1836   -0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5496    0.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -2.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5513    1.5382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0200   -0.4603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917    2.6173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7607    2.1769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4052    0.9060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8878    0.2756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830   -0.3624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6467   -1.2808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4936   -1.5078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7206   -0.6608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8596   -0.1417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0866    0.7052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2396    0.9321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0637   -2.4998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1141   -2.2765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  6  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  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  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 18  1  0  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_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
12314318

> <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>
(3R)-6,6-dimethyl-2-methylene-norpinan-3-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(3R)-6,6-dimethyl-2-methylene-3-norpinanol

> <PUBCHEM_IUPAC_NAME>
(3R)-7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3R)-7,7-dimethyl-4-methylidene-bicyclo[3.1.1]heptan-3-ol

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

> <PUBCHEM_NIST_INCHI>
InChI=1/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-/m1/s1

> <PUBCHEM_CACTVS_XLOGP>
2.2

> <PUBCHEM_EXACT_MASS>
152.120115

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

> <PUBCHEM_MOLECULAR_WEIGHT>
152.23344

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2CC1C(=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>
1

> <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_SUBSTANCE_ID>
24887566

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
80613_FLUKA

> <PUBCHEM_SUBSTANCE_SYNONYM>
(&#8722;)-trans-Pinocarveol
(1S,3R,5S)-2(10)-Pinen-3-ol
(1S,3R,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol
80613_FLUKA

> <PUBCHEM_XREF_EXT_ID>
80613_FLUKA

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=PubChem-_-public%20database-_-products-_-products

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/FLUKA/80613?cm_mmc=PubChem-_-public%20database-_-products-_-products

> <PUBCHEM_CID_ASSOCIATIONS>
12314318  1

> <PUBCHEM_BONDANNOTATIONS>
8  1  6
3  2  3
4  2  3

$$$$