
 (r)-(-)-muscone

 47 47  0  0  0  0  0  0  0  0999 V2000
    0.8755   -0.1370   -0.2770 C   0  0  0  0  0
    2.3751   -0.0182    0.0102 C   0  0  0  0  0
    2.7478    1.0666    1.0510 C   0  0  0  0  0
    1.8436    2.3018    1.0397 C   0  0  0  0  0
    2.3129    3.4441    1.9460 C   0  0  0  0  0
    2.4931    3.1277    3.4346 C   0  0  0  0  0
    1.3375    2.3519    4.0715 C   0  0  0  0  0
    1.4418    2.3499    5.6024 C   0  0  0  0  0
    0.7669    1.1299    6.2370 C   0  0  0  0  0
    1.5964   -0.1526    6.0565 C   0  0  0  0  0
    0.7958   -1.2641    5.3766 C   0  0  0  0  0
    1.6346   -2.5288    5.1358 C   0  0  0  0  0
    1.5878   -2.9874    3.6731 C   0  0  0  0  0
    2.5256   -2.1630    2.7896 C   0  0  0  0  0
    2.1940   -2.2571    1.3069 C   0  0  0  0  0
    1.3185   -3.0068    0.8790 O   0  0  0  0  0
    3.0045   -1.3842    0.3531 C   0  0  0  0  0
    0.6770   -0.9595   -0.9733 H   0  0  0  0  0
    0.4919    0.7729   -0.7494 H   0  0  0  0  0
    0.3014   -0.3124    0.6381 H   0  0  0  0  0
    2.8402    0.3047   -0.9331 H   0  0  0  0  0
    3.7843    1.3771    0.8626 H   0  0  0  0  0
    2.7471    0.6403    2.0543 H   0  0  0  0  0
    1.7784    2.6903    0.0163 H   0  0  0  0  0
    0.8262    2.0185    1.3347 H   0  0  0  0  0
    3.2613    3.8399    1.5607 H   0  0  0  0  0
    1.5848    4.2606    1.8551 H   0  0  0  0  0
    3.4213    2.5603    3.5741 H   0  0  0  0  0
    2.6312    4.0782    3.9648 H   0  0  0  0  0
    0.3771    2.7930    3.7809 H   0  0  0  0  0
    1.3413    1.3265    3.6914 H   0  0  0  0  0
    2.4895    2.3916    5.9255 H   0  0  0  0  0
    0.9624    3.2612    5.9828 H   0  0  0  0  0
    0.6566    1.3196    7.3120 H   0  0  0  0  0
   -0.2475    1.0163    5.8363 H   0  0  0  0  0
    2.5044    0.0483    5.4752 H   0  0  0  0  0
    1.9297   -0.5023    7.0419 H   0  0  0  0  0
   -0.0619   -1.5241    6.0111 H   0  0  0  0  0
    0.3813   -0.8857    4.4347 H   0  0  0  0  0
    2.6778   -2.3879    5.4479 H   0  0  0  0  0
    1.2301   -3.3339    5.7631 H   0  0  0  0  0
    1.8875   -4.0402    3.6149 H   0  0  0  0  0
    0.5544   -2.9398    3.3092 H   0  0  0  0  0
    2.4747   -1.1141    3.0823 H   0  0  0  0  0
    3.5571   -2.5064    2.9272 H   0  0  0  0  0
    4.0197   -1.2658    0.7479 H   0  0  0  0  0
    3.1123   -1.9674   -0.5724 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2 17  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 14 45  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 46  1  0  0  0
 17 47  1  0  0  0
M  END

>  <Chemical Name>
(r)-(-)-muscone

>  <PubChem CID>
7160826

>  <Formula>
C16H30O

>  <Molecular Weight>
238.415000

>  <IUPAC Name>
(3R)-3-methylcyclopentadecan-1-one

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1CCCCCCCCCCCCC(=O)C1

>  <Isomeric SMILES>
C[C@@H]1CCCCCCCCCCCCC(=O)C1

>  <InChI Std. ID>
InChI=1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3/t15-/m1/s1

>  <InChI Key>
ALHUZKCOMYUFRB-OAHLLOKOSA-N

