89664
  DSViewer          3D                             0

 27 28  0  0  0  0  0  0  0  0999 V2000
    3.2170   -1.9488    1.3509 O   0  0  0  0  0  0  0  0  0  1
    5.7770    0.3529   -0.3062 C   0  0  0  0  0  0  0  0  0  2
    5.1076   -0.4973    0.7718 C   0  0  1  0  0  0  0  0  0  3
    4.5610    1.3131   -0.0629 C   0  0  2  0  0  0  0  0  0  4
    4.5199    0.7509    1.4063 C   0  0  0  0  0  0  0  0  0  5
    3.9312   -1.3873    0.2512 C   0  0  2  0  0  0  0  0  0  6
    3.2926    0.7966   -0.7299 C   0  0  0  0  0  0  0  0  0  7
    7.1000    0.9705    0.1931 C   0  0  0  0  0  0  0  0  0  8
    5.9271   -0.2656   -1.7340 C   0  0  0  0  0  0  0  0  0  9
    2.9690   -0.4981   -0.5666 C   0  0  0  0  0  0  0  0  0 10
    2.4022    1.7204   -1.5103 C   0  0  0  0  0  0  0  0  0 11
    5.8321   -1.0262    1.4059 H   0  0  0  0  0  0  0  0  0 12
    4.7767    2.3865   -0.1517 H   0  0  0  0  0  0  0  0  0 13
    3.5245    0.6337    1.8348 H   0  0  0  0  0  0  0  0  0 14
    5.1659    1.2611    2.1208 H   0  0  0  0  0  0  0  0  0 15
    4.3048   -2.2118   -0.3719 H   0  0  0  0  0  0  0  0  0 16
    7.5457    1.5679   -0.6022 H   0  0  0  0  0  0  0  0  0 17
    7.7883    0.1747    0.4783 H   0  0  0  0  0  0  0  0  0 18
    6.9020    1.6057    1.0565 H   0  0  0  0  0  0  0  0  0 19
    6.4191    0.4514   -2.3912 H   0  0  0  0  0  0  0  0  0 20
    4.9412   -0.5055   -2.1321 H   0  0  0  0  0  0  0  0  0 21
    6.5260   -1.1745   -1.6756 H   0  0  0  0  0  0  0  0  0 22
    2.0557   -0.9077   -0.9981 H   0  0  0  0  0  0  0  0  0 23
    1.5538    1.1610   -1.9046 H   0  0  0  0  0  0  0  0  0 24
    2.9646    2.1563   -2.3361 H   0  0  0  0  0  0  0  0  0 25
    2.0410    2.5151   -0.8576 H   0  0  0  0  0  0  0  0  0 26
    2.4669   -2.4949    1.0099 H   0  0  0  0  0  0  0  0  0 27
  6  1  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  8  1  0  0  0
  2  9  1  0  0  0
  3  5  1  0  0  0
  3  6  1  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 13  1  0  0  0
  5 14  1  0  0  0
  5 15  1  0  0  0
  6 10  1  0  0  0
  6 16  1  0  0  0
  7 10  2  0  0  0
  7 11  1  0  0  0
  8 17  1  0  0  0
  8 18  1  0  0  0
  8 19  1  0  0  0
  9 20  1  0  0  0
  9 21  1  0  0  0
  9 22  1  0  0  0
 10 23  1  0  0  0
 11 24  1  0  0  0
 11 25  1  0  0  0
 11 26  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
89664

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
215

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAABgAAAAAAAgQAAAAAAAAAAAAAAAGgAACAAADxSggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAUAAEgAAIEAOAwFAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,2S,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,2S,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enol

> <PUBCHEM_IUPAC_NAME>
(1R,2S,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2S,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2S,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
WONIGEXYPVIKFS-VGMNWLOBSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
152.12

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

> <PUBCHEM_MOLECULAR_WEIGHT>
152.233

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(C2CC1C2(C)C)O

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

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
152.12

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

$$$$
