
 5-Cyclopentadecen-1-one, 3-methyl-

 45 45  0  0  0  0  0  0  0  0999 V2000
    5.5731    2.9649   -3.0136 C   0  0  0  0  0
    6.2739    2.4902   -1.7475 C   0  0  0  0  0
    5.4306    2.8173   -0.4963 C   0  0  0  0  0
    5.9770    2.0658    0.6875 C   0  0  0  0  0
    5.9361    2.5922    1.9091 C   0  0  0  0  0
    7.0997    2.4505    2.8484 C   0  0  0  0  0
    7.6868    3.8649    2.9849 C   0  0  0  0  0
    9.0547    4.0560    2.3092 C   0  0  0  0  0
    9.2037    5.5004    1.8240 C   0  0  0  0  0
   10.6628    5.9054    1.6331 C   0  0  0  0  0
   10.8457    6.9820    0.5611 C   0  0  0  0  0
   11.3219    6.4395   -0.7974 C   0  0  0  0  0
   10.2036    6.0205   -1.7677 C   0  0  0  0  0
    9.7011    4.5875   -1.5725 C   0  0  0  0  0
    8.1739    4.3730   -1.6671 C   0  0  0  0  0
    7.3687    5.2940   -1.7159 O   0  0  0  0  0
    7.7631    2.8990   -1.6741 C   0  0  0  0  0
    5.3633    4.0367   -2.9910 H   0  0  0  0  0
    4.6175    2.4376   -3.1254 H   0  0  0  0  0
    6.1762    2.7378   -3.8959 H   0  0  0  0  0
    6.2887    1.3900   -1.8225 H   0  0  0  0  0
    4.3822    2.5521   -0.6527 H   0  0  0  0  0
    5.4766    3.8976   -0.3030 H   0  0  0  0  0
    6.6649    1.2472    0.4836 H   0  0  0  0  0
    5.2330    3.3996    2.1281 H   0  0  0  0  0
    7.8460    1.7445    2.4602 H   0  0  0  0  0
    6.7616    2.0692    3.8153 H   0  0  0  0  0
    6.9974    4.6106    2.5659 H   0  0  0  0  0
    7.7776    4.1157    4.0449 H   0  0  0  0  0
    9.1803    3.3797    1.4630 H   0  0  0  0  0
    9.8392    3.8048    3.0402 H   0  0  0  0  0
    8.7456    6.1946    2.5400 H   0  0  0  0  0
    8.6386    5.6112    0.8927 H   0  0  0  0  0
   11.2981    5.0383    1.4241 H   0  0  0  0  0
   11.0122    6.3123    2.5930 H   0  0  0  0  0
   11.6311    7.6632    0.9214 H   0  0  0  0  0
    9.9481    7.5970    0.4422 H   0  0  0  0  0
   12.0491    5.6270   -0.6610 H   0  0  0  0  0
   11.8770    7.2533   -1.2832 H   0  0  0  0  0
   10.6336    6.0695   -2.7786 H   0  0  0  0  0
    9.3992    6.7565   -1.7480 H   0  0  0  0  0
   10.1537    3.9597   -2.3466 H   0  0  0  0  0
   10.0246    4.1862   -0.6094 H   0  0  0  0  0
    8.2168    2.4561   -0.7806 H   0  0  0  0  0
    8.2681    2.4513   -2.5385 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  3  1  0  0  0
  2 17  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  2  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 17 44  1  0  0  0
 17 45  1  0  0  0
M  END

>  <Chemical Name>
5-Cyclopentadecen-1-one, 3-methyl-

>  <PubChem CID>
9834606

>  <Formula>
C16H28O

>  <Molecular Weight>
236.399000

>  <IUPAC Name>
(5E)-3-methylcyclopentadec-5-en-1-one

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1CC=CCCCCCCCCCC(=O)C1

>  <Isomeric SMILES>
CC1C/C=C/CCCCCCCCCC(=O)C1

>  <InChI Std. ID>
InChI=1S/C16H28O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h8,10,15H,2-7,9,11-14H2,1H3/b10-8+

>  <InChI Key>
NKMKFQCVDZVEJR-CSKARUKUSA-N

