1201551
  DSViewer          3D                             0

 42 42  0  0  0  0  0  0  0  0999 V2000
    3.7108    0.0650    1.6925 O   0  0  0  0  0  0  0  0  0  1
    3.0018   -1.3946   -0.1875 C   0  0  2  0  0  0  0  0  0  2
    3.3443    0.0522    0.2954 C   0  0  2  0  0  0  0  0  0  3
    1.8598   -1.9821    0.6307 C   0  0  0  0  0  0  0  0  0  4
    4.2285   -2.3190   -0.0182 C   0  0  0  0  0  0  0  0  0  5
    4.5641    0.5586   -0.5641 C   0  0  0  0  0  0  0  0  0  6
    1.4642   -3.3489    0.0169 C   0  0  0  0  0  0  0  0  0  7
    2.0733    0.9182    0.1116 C   0  0  0  0  0  0  0  0  0  8
    2.6561   -4.2191   -0.3440 C   0  0  0  0  0  0  0  0  0  9
    3.9090   -3.7416   -0.3608 C   0  0  0  0  0  0  0  0  0 10
    5.1744    1.9513   -0.1650 C   0  0  0  0  0  0  0  0  0 11
    2.4289   -5.6524   -0.7201 C   0  0  0  0  0  0  0  0  0 12
    4.3272    3.1569   -0.4873 C   0  0  0  0  0  0  0  0  0 13
    4.8004    4.3820   -0.2554 C   0  0  0  0  0  0  0  0  0 14
    3.9581    5.5820   -0.5721 C   0  0  0  0  0  0  0  0  0 15
    6.1798    4.5690    0.3205 C   0  0  0  0  0  0  0  0  0 16
    2.7045   -1.3599   -1.2458 H   0  0  0  0  0  0  0  0  0 17
    2.1818   -2.1224    1.6625 H   0  0  0  0  0  0  0  0  0 18
    1.0045   -1.3068    0.6051 H   0  0  0  0  0  0  0  0  0 19
    5.0258   -1.9695   -0.6740 H   0  0  0  0  0  0  0  0  0 20
    4.5634   -2.2732    1.0181 H   0  0  0  0  0  0  0  0  0 21
    5.3568   -0.1853   -0.4839 H   0  0  0  0  0  0  0  0  0 22
    4.2330    0.6272   -1.6003 H   0  0  0  0  0  0  0  0  0 23
    0.8507   -3.8868    0.7396 H   0  0  0  0  0  0  0  0  0 24
    0.8844   -3.1658   -0.8878 H   0  0  0  0  0  0  0  0  0 25
    1.7825    0.9194   -0.9389 H   0  0  0  0  0  0  0  0  0 26
    2.2793    1.9395    0.4321 H   0  0  0  0  0  0  0  0  0 27
    1.2622    0.5061    0.7120 H   0  0  0  0  0  0  0  0  0 28
    4.7237   -4.4125   -0.6335 H   0  0  0  0  0  0  0  0  0 29
    5.3490    1.9436    0.9109 H   0  0  0  0  0  0  0  0  0 30
    6.1248    2.0616   -0.6871 H   0  0  0  0  0  0  0  0  0 31
    4.5214   -0.4686    1.8554 H   0  0  0  0  0  0  0  0  0 32
    3.3846   -6.1250   -0.9468 H   0  0  0  0  0  0  0  0  0 33
    1.7833   -5.7006   -1.5970 H   0  0  0  0  0  0  0  0  0 34
    1.9534   -6.1754    0.1098 H   0  0  0  0  0  0  0  0  0 35
    3.3304    3.0271   -0.9087 H   0  0  0  0  0  0  0  0  0 36
    4.5066    6.4889   -0.3179 H   0  0  0  0  0  0  0  0  0 37
    3.0354    5.5418    0.0068 H   0  0  0  0  0  0  0  0  0 38
    3.7193    5.5885   -1.6356 H   0  0  0  0  0  0  0  0  0 39
    6.3845    5.6332    0.4366 H   0  0  0  0  0  0  0  0  0 40
    6.9171    4.1288   -0.3509 H   0  0  0  0  0  0  0  0  0 41
    6.2373    4.0803    1.2932 H   0  0  0  0  0  0  0  0  0 42
  3  1  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  2 17  1  0  0  0
  3  6  1  0  0  0
  3  8  1  0  0  0
  4  7  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5 10  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6 11  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7  9  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 12  1  0  0  0
 10 29  1  0  0  0
 11 13  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1201551

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
284

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAACAAADUSAgAACAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAQAAEgAAIAAOAwMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(2S)-6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]-5-hepten-2-ol

> <PUBCHEM_IUPAC_NAME>
(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
RGZSQWQPBWRIAQ-GJZGRUSLSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
222.198

> <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

> <PUBCHEM_MOLECULAR_WEIGHT>
222.366

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC[C@@H](CC1)[C@](C)(CCC=C(C)C)O

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.198

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
3  1  5
2  17  6

$$$$
