5281532
  DSViewer          3D                             0

 40 41  0  0  0  0  0  0  0  0999 V2000
    9.0933   -2.8237    0.2289 O   0  0  0  0  0  0  0  0  0  1
    4.7420    1.4611    1.2602 C   0  0  3  0  0  0  0  0  0  2
    3.7292    0.6711    0.3304 C   0  0  3  0  0  0  0  0  0  3
    4.4886    2.8031   -0.4937 C   0  0  3  0  0  0  0  0  0  4
    4.2275    2.9013    1.0632 C   0  0  0  0  0  0  0  0  0  5
    6.1947    1.5818    0.7017 C   0  0  0  0  0  0  0  0  0  6
    3.8086    1.5166   -0.8561 C   0  0  0  0  0  0  0  0  0  7
    6.0096    2.5371   -0.5137 C   0  0  0  0  0  0  0  0  0  8
    3.9336   -0.8854    0.0867 C   0  0  0  0  0  0  0  0  0  9
    2.3086    0.7976    0.9224 C   0  0  0  0  0  0  0  0  0 10
    3.0327    1.3706   -1.9258 C   0  0  0  0  0  0  0  0  0 11
    5.2670   -1.2756   -0.5805 C   0  0  0  0  0  0  0  0  0 12
    5.4876   -2.7494   -0.5016 C   0  0  0  0  0  0  0  0  0 13
    6.7241   -3.1910   -0.2712 C   0  0  0  0  0  0  0  0  0 14
    7.8483   -2.1846   -0.0715 C   0  0  0  0  0  0  0  0  0 15
    6.9810   -4.6685   -0.1621 C   0  0  0  0  0  0  0  0  0 16
    4.7332    1.0615    2.2835 H   0  0  0  0  0  0  0  0  0 17
    4.1946    3.6519   -1.1253 H   0  0  0  0  0  0  0  0  0 18
    3.1788    3.0361    1.3279 H   0  0  0  0  0  0  0  0  0 19
    4.8298    3.6584    1.5655 H   0  0  0  0  0  0  0  0  0 20
    6.8672    2.0134    1.4430 H   0  0  0  0  0  0  0  0  0 21
    6.5769    0.6113    0.3851 H   0  0  0  0  0  0  0  0  0 22
    6.3141    2.0565   -1.4434 H   0  0  0  0  0  0  0  0  0 23
    6.5735    3.4602   -0.3796 H   0  0  0  0  0  0  0  0  0 24
    3.8803   -1.3877    1.0526 H   0  0  0  0  0  0  0  0  0 25
    3.1222   -1.2361   -0.5510 H   0  0  0  0  0  0  0  0  0 26
    1.6022    0.2581    0.2915 H   0  0  0  0  0  0  0  0  0 27
    2.0254    1.8492    0.9670 H   0  0  0  0  0  0  0  0  0 28
    2.2941    0.3749    1.9270 H   0  0  0  0  0  0  0  0  0 29
    2.2814    0.5812   -1.9505 H   0  0  0  0  0  0  0  0  0 30
    3.1478    2.0402   -2.7782 H   0  0  0  0  0  0  0  0  0 31
    5.2444   -0.9734   -1.6275 H   0  0  0  0  0  0  0  0  0 32
    6.0841   -0.7643   -0.0716 H   0  0  0  0  0  0  0  0  0 33
    4.6595   -3.4465   -0.6290 H   0  0  0  0  0  0  0  0  0 34
    7.5849   -1.5221    0.7530 H   0  0  0  0  0  0  0  0  0 35
    7.9640   -1.6008   -0.9847 H   0  0  0  0  0  0  0  0  0 36
    8.0407   -4.8406    0.0262 H   0  0  0  0  0  0  0  0  0 37
    6.6939   -5.1574   -1.0931 H   0  0  0  0  0  0  0  0  0 38
    6.3950   -5.0800    0.6597 H   0  0  0  0  0  0  0  0  0 39
    9.4003   -3.3494   -0.5482 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  5  1  0  0  0
  2  6  1  0  0  0
  2 17  1  0  0  0
  3  7  1  0  0  0
  3  9  1  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4  8  1  0  0  0
  4 18  1  0  0  0
  5 19  1  0  0  0
  5 20  1  0  0  0
  6  8  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7 11  2  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 12  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 13  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>
5281532

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
315

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAGgAACAAADwCggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAUAAAgAAIEAMAgMAPgAAAAAAAAAAAAAQAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-2-methyl-5-(2-methyl-3-methylene-norbornan-2-yl)pent-2-en-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(Z)-2-methyl-5-(3-methyl-2-methylene-3-bicyclo[2.2.1]heptanyl)-2-penten-1-ol

> <PUBCHEM_IUPAC_NAME>
(Z)-2-methyl-5-(3-methyl-2-methylidene-3-bicyclo[2.2.1]heptanyl)pent-2-en-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-2-methyl-5-(3-methyl-2-methylidene-3-bicyclo[2.2.1]heptanyl)pent-2-en-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-2-methyl-5-(2-methyl-3-methylene-norbornan-2-yl)pent-2-en-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-

> <PUBCHEM_IUPAC_INCHIKEY>
OJYKYCDSGQGTRJ-WZUFQYTHSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
220.183

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC1(C2CCC(C2)C1=C)C)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C(=C/CCC1(C2CCC(C2)C1=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>
3

> <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
3  9  3
4  18  3

$$$$
