6428487
  DSViewer          3D                             0

 39 40  0  0  0  0  0  0  0  0999 V2000
    4.9089   -0.1796    0.0554 C   0  0  3  0  0  0  0  0  0  1
    5.7258   -1.3941   -0.5732 C   0  0  1  0  0  0  0  0  0  2
    6.1975    0.7410    0.1879 C   0  0  0  0  0  0  0  0  0  3
    4.3079   -0.4745    1.4769 C   0  0  0  0  0  0  0  0  0  4
    6.8268   -1.5675    0.4994 C   0  0  0  0  0  0  0  0  0  5
    3.7052    0.4026   -0.7712 C   0  0  0  0  0  0  0  0  0  6
    7.3848   -0.1267    0.6044 C   0  0  0  0  0  0  0  0  0  7
    3.1128   -1.4983    1.4615 C   0  0  0  0  0  0  0  0  0  8
    5.0280   -2.7403   -0.8984 C   0  0  0  0  0  0  0  0  0  9
    2.4081   -0.3829   -0.6710 C   0  0  0  0  0  0  0  0  0 10
    6.4223    2.0301   -0.0671 C   0  0  0  0  0  0  0  0  0 11
    2.1223   -1.2176    0.3322 C   0  0  0  0  0  0  0  0  0 12
    7.8275    2.5551    0.1229 C   0  0  0  0  0  0  0  0  0 13
    5.4163    3.0643   -0.5754 C   0  0  0  0  0  0  0  0  0 14
    0.7942   -1.9261    0.3257 C   0  0  0  0  0  0  0  0  0 15
    6.1859   -1.0314   -1.5055 H   0  0  0  0  0  0  0  0  0 16
    5.0994   -0.8799    2.1072 H   0  0  0  0  0  0  0  0  0 17
    3.9506    0.4643    1.9002 H   0  0  0  0  0  0  0  0  0 18
    6.4087   -1.9026    1.4486 H   0  0  0  0  0  0  0  0  0 19
    7.5945   -2.2687    0.1721 H   0  0  0  0  0  0  0  0  0 20
    3.5133    1.4158   -0.4181 H   0  0  0  0  0  0  0  0  0 21
    4.0004    0.4327   -1.8200 H   0  0  0  0  0  0  0  0  0 22
    8.2283    0.0155   -0.0711 H   0  0  0  0  0  0  0  0  0 23
    7.6940    0.0988    1.6251 H   0  0  0  0  0  0  0  0  0 24
    3.5143   -2.5035    1.3334 H   0  0  0  0  0  0  0  0  0 25
    2.5856   -1.4357    2.4134 H   0  0  0  0  0  0  0  0  0 26
    5.7553   -3.4350   -1.3183 H   0  0  0  0  0  0  0  0  0 27
    4.2292   -2.5709   -1.6205 H   0  0  0  0  0  0  0  0  0 28
    4.6083   -3.1624    0.0147 H   0  0  0  0  0  0  0  0  0 29
    1.6690   -0.2581   -1.4624 H   0  0  0  0  0  0  0  0  0 30
    7.8556    3.6167   -0.1222 H   0  0  0  0  0  0  0  0  0 31
    8.5100    2.0134   -0.5321 H   0  0  0  0  0  0  0  0  0 32
    8.1314    2.4141    1.1602 H   0  0  0  0  0  0  0  0  0 33
    5.9101    4.0300   -0.6831 H   0  0  0  0  0  0  0  0  0 34
    4.5956    3.1539    0.1363 H   0  0  0  0  0  0  0  0  0 35
    5.0253    2.7469   -1.5422 H   0  0  0  0  0  0  0  0  0 36
    0.2175   -1.6103   -0.5436 H   0  0  0  0  0  0  0  0  0 37
    0.2454   -1.6788    1.2345 H   0  0  0  0  0  0  0  0  0 38
    0.9566   -3.0031    0.2816 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  6  1  0  0  0
  2  5  1  0  0  0
  2  9  1  0  0  0
  2 16  1  0  0  0
  3  7  1  0  0  0
  3 11  2  0  0  0
  4  8  1  0  0  0
  4 17  1  0  0  0
  4 18  1  0  0  0
  5  7  1  0  0  0
  5 19  1  0  0  0
  5 20  1  0  0  0
  6 10  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8 12  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
  9 29  1  0  0  0
 10 12  2  0  0  0
 10 30  1  0  0  0
 11 13  1  0  0  0
 11 14  1  0  0  0
 12 15  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>
6428487

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
315

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAYAAAAAgAAAAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAAAAAAAAAAAAAAAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S)-4-isopropylidene-1,8-dimethyl-spiro[4.5]dec-8-ene

> <PUBCHEM_IUPAC_CAS_NAME>
(1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene

> <PUBCHEM_IUPAC_NAME>
(1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S)-1,8-dimethyl-4-propan-2-ylidene-spiro[4.5]dec-8-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S)-4-isopropylidene-1,8-dimethyl-spiro[4.5]dec-8-ene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13H,5-6,8-10H2,1-4H3/t13-,15?/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HMKLOOMRRZKSNM-CFMCSPIPSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC(=C(C)C)C12CCC(=CC2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1CCC(=C(C)C)C12CCC(=CC2)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  2  3

$$$$
