12315252
  DSViewer          3D                             0

 39 41  0  0  0  0  0  0  0  0999 V2000
    2.6244    1.6623   -0.4678 C   0  0  0  0  0  0  0  0  0  1
    2.0006    2.9266    0.0709 C   0  0  1  0  0  0  0  0  0  2
    1.7831    1.5527    0.7775 C   0  0  2  0  0  0  0  0  0  3
    4.1042    1.6577   -0.0376 C   0  0  1  0  0  0  0  0  0  4
    3.8201    2.3954    1.3006 C   0  0  0  0  0  0  0  0  0  5
    3.0642    3.6941    0.8620 C   0  0  0  0  0  0  0  0  0  6
    2.7313    1.4973    1.9926 C   0  0  0  0  0  0  0  0  0  7
    2.0540    1.1032   -1.7918 C   0  0  0  0  0  0  0  0  0  8
    4.7731    0.2714    0.2370 C   0  0  0  0  0  0  0  0  0  9
    5.0012    2.4887   -0.9762 C   0  0  0  0  0  0  0  0  0 10
    4.9873   -0.5924   -1.0275 C   0  0  0  0  0  0  0  0  0 11
    5.9821   -1.6783   -0.6992 C   0  0  0  0  0  0  0  0  0 12
    5.6408   -2.9589   -0.5668 C   0  0  0  0  0  0  0  0  0 13
    6.7057   -3.9705   -0.2492 C   0  0  0  0  0  0  0  0  0 14
    4.2109   -3.4034   -0.7157 C   0  0  0  0  0  0  0  0  0 15
    1.1638    3.3852   -0.4734 H   0  0  0  0  0  0  0  0  0 16
    0.7952    1.0745    0.7157 H   0  0  0  0  0  0  0  0  0 17
    4.7132    2.5827    1.9115 H   0  0  0  0  0  0  0  0  0 18
    3.6689    4.3550    0.2410 H   0  0  0  0  0  0  0  0  0 19
    2.6541    4.2572    1.7004 H   0  0  0  0  0  0  0  0  0 20
    2.3083    1.9469    2.8910 H   0  0  0  0  0  0  0  0  0 21
    3.0829    0.4910    2.2202 H   0  0  0  0  0  0  0  0  0 22
    2.5912    0.1949   -2.0646 H   0  0  0  0  0  0  0  0  0 23
    2.1722    1.8455   -2.5811 H   0  0  0  0  0  0  0  0  0 24
    0.9959    0.8744   -1.6642 H   0  0  0  0  0  0  0  0  0 25
    5.7445    0.4467    0.6993 H   0  0  0  0  0  0  0  0  0 26
    4.1370   -0.2840    0.9262 H   0  0  0  0  0  0  0  0  0 27
    6.0319    2.4489   -0.6240 H   0  0  0  0  0  0  0  0  0 28
    4.6600    3.5239   -0.9833 H   0  0  0  0  0  0  0  0  0 29
    4.9470    2.0818   -1.9860 H   0  0  0  0  0  0  0  0  0 30
    4.0412   -1.0399   -1.3321 H   0  0  0  0  0  0  0  0  0 31
    5.3734    0.0282   -1.8361 H   0  0  0  0  0  0  0  0  0 32
    7.0279   -1.4021   -0.5642 H   0  0  0  0  0  0  0  0  0 33
    4.1482   -4.4819   -0.5708 H   0  0  0  0  0  0  0  0  0 34
    3.8532   -3.1501   -1.7138 H   0  0  0  0  0  0  0  0  0 35
    3.5941   -2.9008    0.0293 H   0  0  0  0  0  0  0  0  0 36
    6.2566   -4.9609   -0.1763 H   0  0  0  0  0  0  0  0  0 37
    7.1782   -3.7157    0.6995 H   0  0  0  0  0  0  0  0  0 38
    7.4558   -3.9696   -1.0400 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  8  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2 16  1  0  0  0
  3  7  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  4 10  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5 18  1  0  0  0
  6 19  1  0  0  0
  6 20  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 11  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 34  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12315252

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
309

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAGAAAAYMGAAAAAAAAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAACAAAQAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,2R,7R)-6,7-dimethyl-7-(4-methylpent-3-enyl)-2,3,4,5-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptane

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,2R,7R)-6,7-dimethyl-7-(4-methylpent-3-enyl)-2,3,4,5-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptane

> <PUBCHEM_IUPAC_NAME>
(1S,2R,7R)-6,7-dimethyl-7-(4-methylpent-3-enyl)-2,3,4,5-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,2R,7R)-6,7-dimethyl-7-(4-methylpent-3-enyl)-2,3,4,5-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,2R,7R)-6,7-dimethyl-7-(4-methylpent-3-enyl)-2,3,4,5-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h6,11-13H,5,7-9H2,1-4H3/t11?,12-,13+,14-,15?/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
KWFJIXPIFLVMPM-PEGGXJLSSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC1(C2CC3C1(C3C2)C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCC[C@@]1(C2C[C@H]3C1([C@H]3C2)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>
2  16  5
3  17  5
4  10  6

$$$$
