6536796
  DSViewer          3D                             0

 40 40  0  0  0  0  0  0  0  0999 V2000
    6.2725    6.2232   -0.0257 O   0  0  0  0  0  0  0  0  0  1
    2.8455   -1.7682    0.1928 C   0  0  3  0  0  0  0  0  0  2
    1.4446   -2.3298    0.0012 C   0  0  0  0  0  0  0  0  0  3
    3.7915   -2.4676   -0.7953 C   0  0  0  0  0  0  0  0  0  4
    1.4521   -3.8197    0.4128 C   0  0  0  0  0  0  0  0  0  5
    2.8998   -0.2860   -0.0682 C   0  0  0  0  0  0  0  0  0  6
    2.6589   -4.5815   -0.1107 C   0  0  0  0  0  0  0  0  0  7
    3.7147   -3.9644   -0.6527 C   0  0  0  0  0  0  0  0  0  8
    4.1936    0.4671    0.1201 C   0  0  0  0  0  0  0  0  0  9
    3.9599    1.9711   -0.1282 C   0  0  0  0  0  0  0  0  0 10
    2.6773   -6.0773    0.0111 C   0  0  0  0  0  0  0  0  0 11
    1.7987    0.3623   -0.4534 C   0  0  0  0  0  0  0  0  0 12
    5.2446    2.7338    0.0324 C   0  0  0  0  0  0  0  0  0 13
    5.2477    4.0649   -0.0489 C   0  0  0  0  0  0  0  0  0 14
    6.5328    4.8226    0.1050 C   0  0  0  0  0  0  0  0  0 15
    3.9659    4.8162   -0.2933 C   0  0  0  0  0  0  0  0  0 16
    3.2101   -1.9690    1.2105 H   0  0  0  0  0  0  0  0  0 17
    0.7398   -1.7799    0.6249 H   0  0  0  0  0  0  0  0  0 18
    1.1522   -2.2391   -1.0449 H   0  0  0  0  0  0  0  0  0 19
    3.5111   -2.1922   -1.8119 H   0  0  0  0  0  0  0  0  0 20
    4.8136   -2.1435   -0.5993 H   0  0  0  0  0  0  0  0  0 21
    1.4517   -3.8779    1.5012 H   0  0  0  0  0  0  0  0  0 22
    0.5498   -4.2908    0.0229 H   0  0  0  0  0  0  0  0  0 23
    4.5512   -4.5682   -1.0045 H   0  0  0  0  0  0  0  0  0 24
    4.5537    0.3196    1.1383 H   0  0  0  0  0  0  0  0  0 25
    4.9357    0.0943   -0.5859 H   0  0  0  0  0  0  0  0  0 26
    3.5820    2.1134   -1.1407 H   0  0  0  0  0  0  0  0  0 27
    3.2287    2.3441    0.5889 H   0  0  0  0  0  0  0  0  0 28
    3.6054   -6.4651   -0.4088 H   0  0  0  0  0  0  0  0  0 29
    1.8303   -6.4970   -0.5317 H   0  0  0  0  0  0  0  0  0 30
    2.6097   -6.3577    1.0623 H   0  0  0  0  0  0  0  0  0 31
    0.8621   -0.1810   -0.5786 H   0  0  0  0  0  0  0  0  0 32
    1.8360    1.4350   -0.6428 H   0  0  0  0  0  0  0  0  0 33
    6.1760    2.1980    0.2158 H   0  0  0  0  0  0  0  0  0 34
    7.2352    4.5091   -0.6673 H   0  0  0  0  0  0  0  0  0 35
    6.9589    4.6214    1.0878 H   0  0  0  0  0  0  0  0  0 36
    4.1719    5.8859   -0.3271 H   0  0  0  0  0  0  0  0  0 37
    3.2625    4.6075    0.5129 H   0  0  0  0  0  0  0  0  0 38
    3.5340    4.4997   -1.2428 H   0  0  0  0  0  0  0  0  0 39
    7.1176    6.7276    0.0711 H   0  0  0  0  0  0  0  0  0 40
  1 15  1  0  0  0
  1 40  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  6  1  0  0  0
  2 17  1  0  0  0
  3  5  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  8  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5  7  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  6  9  1  0  0  0
  6 12  2  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 13  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6536796

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
297

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAACAAADQCggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAUAAAgAAIEAMAgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,6-dien-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(2E)-2-methyl-6-(4-methyl-1-cyclohex-3-enyl)-1-hepta-2,6-dienol

> <PUBCHEM_IUPAC_NAME>
(2E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,6-dien-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,6-dien-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,6-dien-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-12-7-9-15(10-8-12)14(3)6-4-5-13(2)11-16/h5,7,15-16H,3-4,6,8-11H2,1-2H3/b13-5+

> <PUBCHEM_IUPAC_INCHIKEY>
HBVOEGGRCJCMLG-WLRTZDKTSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
220.183

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.35

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CCC(CC1)C(=C)CC/C=C(\C)/CO

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.183

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
2  17  3

$$$$
