10856614
  DSViewer          3D                             0

 39 40  0  0  0  0  0  0  0  0999 V2000
    5.7236   -1.0162    0.0240 C   0  0  1  0  0  0  0  0  0  1
    5.7463    0.5182   -0.2010 C   0  0  1  0  0  0  0  0  0  2
    4.4340   -1.5774   -0.6198 C   0  0  0  0  0  0  0  0  0  3
    4.5208    1.2042    0.4399 C   0  0  0  0  0  0  0  0  0  4
    3.2341    0.5946   -0.1623 C   0  0  1  0  0  0  0  0  0  5
    6.9647   -1.5713   -0.6807 C   0  0  0  0  0  0  0  0  0  6
    3.1890   -0.9403    0.0463 C   0  0  0  0  0  0  0  0  0  7
    7.0390    1.1530    0.2823 C   0  0  0  0  0  0  0  0  0  8
    5.7406   -1.4085    1.5421 C   0  0  0  0  0  0  0  0  0  9
    8.2464   -1.0368    0.0245 C   0  0  0  0  0  0  0  0  0 10
    8.1789    0.4541    0.3526 C   0  0  0  0  0  0  0  0  0 11
    2.0211    1.2611    0.4365 C   0  0  0  0  0  0  0  0  0 12
    7.0584    2.6151    0.6308 C   0  0  0  0  0  0  0  0  0 13
    0.7647    0.4722    0.6819 C   0  0  0  0  0  0  0  0  0 14
    2.0527    2.5594    0.7308 C   0  0  0  0  0  0  0  0  0 15
    5.6981    0.6939   -1.2845 H   0  0  0  0  0  0  0  0  0 16
    4.4320   -1.3455   -1.6849 H   0  0  0  0  0  0  0  0  0 17
    4.4032   -2.6584   -0.4828 H   0  0  0  0  0  0  0  0  0 18
    4.5327    1.0419    1.5177 H   0  0  0  0  0  0  0  0  0 19
    4.5504    2.2739    0.2327 H   0  0  0  0  0  0  0  0  0 20
    3.2457    0.8010   -1.2415 H   0  0  0  0  0  0  0  0  0 21
    6.9520   -2.6602   -0.6339 H   0  0  0  0  0  0  0  0  0 22
    6.9637   -1.2519   -1.7228 H   0  0  0  0  0  0  0  0  0 23
    2.2846   -1.3442   -0.4086 H   0  0  0  0  0  0  0  0  0 24
    3.1909   -1.1640    1.1131 H   0  0  0  0  0  0  0  0  0 25
    5.7235   -2.4941    1.6375 H   0  0  0  0  0  0  0  0  0 26
    4.8654   -0.9870    2.0366 H   0  0  0  0  0  0  0  0  0 27
    6.6447   -1.0174    2.0089 H   0  0  0  0  0  0  0  0  0 28
    8.3859   -1.5894    0.9536 H   0  0  0  0  0  0  0  0  0 29
    9.0993   -1.2081   -0.6323 H   0  0  0  0  0  0  0  0  0 30
    9.0918    0.9672    0.6549 H   0  0  0  0  0  0  0  0  0 31
    8.0594    2.8983    0.9561 H   0  0  0  0  0  0  0  0  0 32
    6.3478    2.8070    1.4348 H   0  0  0  0  0  0  0  0  0 33
    6.7822    3.2017   -0.2454 H   0  0  0  0  0  0  0  0  0 34
    0.0055    1.1228    1.1159 H   0  0  0  0  0  0  0  0  0 35
    0.9774   -0.3461    1.3699 H   0  0  0  0  0  0  0  0  0 36
    0.3991    0.0672   -0.2618 H   0  0  0  0  0  0  0  0  0 37
    2.9551    3.1399    0.5390 H   0  0  0  0  0  0  0  0  0 38
    1.1762    3.0416    1.1636 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  6  1  0  0  0
  1  9  1  0  0  0
  2  4  1  0  0  0
  2  8  1  0  0  0
  2 16  1  0  0  0
  3  7  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5  7  1  0  0  0
  5 12  1  0  0  0
  5 21  1  0  0  0
  6 10  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8 11  2  0  0  0
  8 13  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 31  1  0  0  0
 12 14  1  0  0  0
 12 15  2  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10856614

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
297

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3R,4aR,8aR)-3-isopropenyl-5,8a-dimethyl-2,3,4,4a,7,8-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_CAS_NAME>
(3R,4aR,8aR)-5,8a-dimethyl-3-(1-methylethenyl)-2,3,4,4a,7,8-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_NAME>
(3R,4aR,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3R,4aR,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3R,4aR,8aR)-3-isopropenyl-5,8a-dimethyl-2,3,4,4a,7,8-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14+,15-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
OZQAPQSEYFAMCY-QLFBSQMISA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCCC2(C1CC(CC2)C(=C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CCC[C@]2([C@H]1C[C@@H](CC2)C(=C)C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
1  9  5
2  16  6
5  12  5

$$$$
