92313
  DSViewer          3D                             0

 39 40  0  0  0  0  0  0  0  0999 V2000
    3.7476   -0.2650    0.3930 C   0  0  2  0  0  0  0  0  0  1
    2.5446   -1.0656   -0.2951 C   0  0  2  0  0  0  0  0  0  2
    3.7498    1.1894   -0.1150 C   0  0  2  0  0  0  0  0  0  3
    1.2317   -0.3564    0.1190 C   0  0  0  0  0  0  0  0  0  4
    2.3484   -2.5886    0.1485 C   0  0  0  0  0  0  0  0  0  5
    4.8737    1.9677    0.5581 C   0  0  0  0  0  0  0  0  0  6
    2.4204    1.8443    0.1281 C   0  0  0  0  0  0  0  0  0  7
    1.1733    1.1270   -0.2868 C   0  0  0  0  0  0  0  0  0  8
    5.1181   -0.8546    0.1278 C   0  0  0  0  0  0  0  0  0  9
    6.2274    1.3861    0.1099 C   0  0  0  0  0  0  0  0  0 10
    6.2318   -0.1249    0.0209 C   0  0  0  0  0  0  0  0  0 11
    2.1166   -2.6777    1.6738 C   0  0  0  0  0  0  0  0  0 12
    3.5104   -3.5384   -0.2338 C   0  0  0  0  0  0  0  0  0 13
    2.3650    3.1451    0.4054 C   0  0  0  0  0  0  0  0  0 14
    7.5287   -0.8281   -0.2502 C   0  0  0  0  0  0  0  0  0 15
    3.5853   -0.2589    1.4780 H   0  0  0  0  0  0  0  0  0 16
    2.6710   -1.0334   -1.3858 H   0  0  0  0  0  0  0  0  0 17
    3.9153    1.1740   -1.2015 H   0  0  0  0  0  0  0  0  0 18
    0.3973   -0.8749   -0.3532 H   0  0  0  0  0  0  0  0  0 19
    1.1335   -0.4203    1.2026 H   0  0  0  0  0  0  0  0  0 20
    1.4511   -2.9653   -0.3622 H   0  0  0  0  0  0  0  0  0 21
    4.8142    3.0173    0.2702 H   0  0  0  0  0  0  0  0  0 22
    4.7799    1.8814    1.6406 H   0  0  0  0  0  0  0  0  0 23
    1.0651    1.1967   -1.3692 H   0  0  0  0  0  0  0  0  0 24
    0.3153    1.5952    0.1955 H   0  0  0  0  0  0  0  0  0 25
    5.1998   -1.9360    0.0179 H   0  0  0  0  0  0  0  0  0 26
    6.4690    1.7908   -0.8730 H   0  0  0  0  0  0  0  0  0 27
    6.9894    1.6922    0.8267 H   0  0  0  0  0  0  0  0  0 28
    1.9846   -3.7208    1.9615 H   0  0  0  0  0  0  0  0  0 29
    1.2235   -2.1122    1.9398 H   0  0  0  0  0  0  0  0  0 30
    2.9780   -2.2632    2.1976 H   0  0  0  0  0  0  0  0  0 31
    3.2835   -4.5476    0.1098 H   0  0  0  0  0  0  0  0  0 32
    4.4316   -3.1937    0.2360 H   0  0  0  0  0  0  0  0  0 33
    3.6351   -3.5433   -1.3167 H   0  0  0  0  0  0  0  0  0 34
    3.2826    3.7313    0.4554 H   0  0  0  0  0  0  0  0  0 35
    1.4020    3.6241    0.5824 H   0  0  0  0  0  0  0  0  0 36
    8.3343   -0.0961   -0.3082 H   0  0  0  0  0  0  0  0  0 37
    7.4597   -1.3672   -1.1950 H   0  0  0  0  0  0  0  0  0 38
    7.7360   -1.5326    0.5554 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  9  1  0  0  0
  1 16  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  7  1  0  0  0
  3 18  1  0  0  0
  4  8  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5 12  1  0  0  0
  5 13  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  8  1  0  0  0
  7 14  2  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 11  2  0  0  0
  9 26  1  0  0  0
 10 11  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 15  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  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
 15 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
92313

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
282

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACAAAAAGAAAAAAADQCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAOgAAAAAAAAAAAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,4aS,8aS)-1-isopropyl-7-methyl-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,4aS,8aS)-7-methyl-4-methylene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_NAME>
(1R,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,4aS,8aS)-1-isopropyl-7-methyl-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
WRHGORWNJGOVQY-RBSFLKMASA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2C(CC1)C(=C)CCC2C(C)C

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

$$$$
