10657
  DSViewer          3D                             0

 39 40  0  0  0  0  0  0  0  0999 V2000
    3.7812   -0.2940   -0.3331 C   0  0  1  0  0  0  0  0  0  1
    2.5184   -1.0530    0.2499 C   0  0  1  0  0  0  0  0  0  2
    3.7274    1.1472    0.1698 C   0  0  1  0  0  0  0  0  0  3
    5.1502   -0.8462    0.1834 C   0  0  0  0  0  0  0  0  0  4
    1.2785   -0.3588   -0.3764 C   0  0  0  0  0  0  0  0  0  5
    2.3236   -2.6060   -0.0954 C   0  0  0  0  0  0  0  0  0  6
    4.8513    1.9770   -0.5019 C   0  0  0  0  0  0  0  0  0  7
    2.4099    1.8360   -0.0657 C   0  0  0  0  0  0  0  0  0  8
    1.2935    1.1430   -0.2859 C   0  0  0  0  0  0  0  0  0  9
    6.3358    0.0195   -0.1421 C   0  0  0  0  0  0  0  0  0 10
    6.1967    1.3127   -0.4336 C   0  0  0  0  0  0  0  0  0 11
    2.2587   -2.8028   -1.6271 C   0  0  0  0  0  0  0  0  0 12
    3.3975   -3.5644    0.4803 C   0  0  0  0  0  0  0  0  0 13
    2.3357    3.3352    0.0026 C   0  0  0  0  0  0  0  0  0 14
    7.7133   -0.5686   -0.0633 C   0  0  0  0  0  0  0  0  0 15
    3.7338   -0.3158   -1.4298 H   0  0  0  0  0  0  0  0  0 16
    2.5294   -0.9327    1.3421 H   0  0  0  0  0  0  0  0  0 17
    3.8801    1.1214    1.2577 H   0  0  0  0  0  0  0  0  0 18
    5.0895   -0.9464    1.2671 H   0  0  0  0  0  0  0  0  0 19
    5.3120   -1.8268   -0.2642 H   0  0  0  0  0  0  0  0  0 20
    1.2285   -0.6361   -1.4293 H   0  0  0  0  0  0  0  0  0 21
    0.3888   -0.7221    0.1381 H   0  0  0  0  0  0  0  0  0 22
    1.3624   -2.9175    0.3368 H   0  0  0  0  0  0  0  0  0 23
    4.5919    2.1275   -1.5498 H   0  0  0  0  0  0  0  0  0 24
    4.9158    2.9427   -0.0007 H   0  0  0  0  0  0  0  0  0 25
    0.3552    1.6847   -0.4052 H   0  0  0  0  0  0  0  0  0 26
    7.0888    1.9078   -0.6290 H   0  0  0  0  0  0  0  0  0 27
    2.1263   -3.8609   -1.8527 H   0  0  0  0  0  0  0  0  0 28
    3.1854   -2.4488   -2.0790 H   0  0  0  0  0  0  0  0  0 29
    1.4188   -2.2377   -2.0313 H   0  0  0  0  0  0  0  0  0 30
    3.1672   -4.5881    0.1854 H   0  0  0  0  0  0  0  0  0 31
    3.4035   -3.4928    1.5679 H   0  0  0  0  0  0  0  0  0 32
    4.3779   -3.2870    0.0929 H   0  0  0  0  0  0  0  0  0 33
    1.3130    3.6581   -0.1921 H   0  0  0  0  0  0  0  0  0 34
    3.0010    3.7669   -0.7452 H   0  0  0  0  0  0  0  0  0 35
    2.6391    3.6697    0.9947 H   0  0  0  0  0  0  0  0  0 36
    8.4488    0.1906   -0.3289 H   0  0  0  0  0  0  0  0  0 37
    7.7911   -1.4070   -0.7556 H   0  0  0  0  0  0  0  0  0 38
    7.9024   -0.9175    0.9519 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1 16  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  8  1  0  0  0
  3 18  1  0  0  0
  4 10  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5  9  1  0  0  0
  5 21  1  0  0  0
  5 22  1  0  0  0
  6 12  1  0  0  0
  6 13  1  0  0  0
  6 23  1  0  0  0
  7 11  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8  9  2  0  0  0
  8 14  1  0  0  0
  9 26  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 27  1  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 31  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10657

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
293

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAgQAAAAAAAAACAAAAAGAAAAAAADQCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgEAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene

> <PUBCHEM_IUPAC_NAME>
(1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
USDOQCCMRDNVAH-KKUMJFAQSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC2C(C1)C(CC=C2C)C(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC[C@@H]2[C@@H](C1)[C@@H](CC=C2C)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  16  6
2  6  6
3  18  5

$$$$
