
 28219-61-6

 39 39  0  0  0  0  0  0  0  0999 V2000
   -1.2665    0.0894    2.5630 C   0  0  0  0  0
    0.1961    0.1538    2.1420 C   0  0  0  0  0
    0.8922    1.4310    2.5692 C   0  0  0  0  0
    1.0395    2.5187    1.7826 C   0  0  0  0  0
    0.5690    2.7080    0.3602 C   0  0  0  0  0
   -0.8375    3.3402    0.2495 C   0  0  0  0  0
   -0.8763    4.7604    0.8553 C   0  0  0  0  0
   -0.7574    5.6436   -0.3403 C   0  0  0  0  0
   -1.0170    4.9874   -1.4788 C   0  0  0  0  0
   -1.3612    3.5317   -1.2196 C   0  0  0  0  0
   -0.7315    2.5818   -2.2469 C   0  0  0  0  0
   -2.8919    3.3473   -1.2545 C   0  0  0  0  0
   -1.0460    5.5959   -2.8396 C   0  0  0  0  0
    1.5022    1.4086    3.9516 C   0  0  0  0  0
    0.4822    1.3204    4.9306 O   0  0  0  0  0
   -1.7294   -0.8180    2.1643 H   0  0  0  0  0
   -1.8321    0.9456    2.1862 H   0  0  0  0  0
   -1.3748    0.0643    3.6499 H   0  0  0  0  0
    0.2528    0.0242    1.0561 H   0  0  0  0  0
    0.7307   -0.7090    2.5591 H   0  0  0  0  0
    1.5821    3.3752    2.1830 H   0  0  0  0  0
    0.5884    1.7425   -0.1536 H   0  0  0  0  0
    1.3080    3.3325   -0.1574 H   0  0  0  0  0
   -1.5304    2.6996    0.8086 H   0  0  0  0  0
   -0.0699    4.9552    1.5659 H   0  0  0  0  0
   -1.8305    4.9489    1.3604 H   0  0  0  0  0
   -0.5321    6.6995   -0.2722 H   0  0  0  0  0
    0.3458    2.7483   -2.3576 H   0  0  0  0  0
   -1.1770    2.7188   -3.2397 H   0  0  0  0  0
   -0.8910    1.5348   -1.9647 H   0  0  0  0  0
   -3.4017    4.0119   -0.5478 H   0  0  0  0  0
   -3.1635    2.3179   -0.9936 H   0  0  0  0  0
   -3.2978    3.5538   -2.2513 H   0  0  0  0  0
   -0.2895    5.1386   -3.4840 H   0  0  0  0  0
   -0.8428    6.6712   -2.8014 H   0  0  0  0  0
   -2.0285    5.4602   -3.3019 H   0  0  0  0  0
    2.0896    2.3098    4.1589 H   0  0  0  0  0
    2.1731    0.5503    4.0623 H   0  0  0  0  0
   -0.1760    1.9988    4.7063 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3 14  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  6 10  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8  9  2  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 39  1  0  0  0
M  END

>  <Chemical Name>
28219-61-6

>  <PubChem CID>
6438196

>  <Formula>
C14H24O

>  <Molecular Weight>
208.345000

>  <IUPAC Name>
(E)-2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCC(=CCC1CC=C(C1(C)C)C)CO

>  <Isomeric SMILES>
CC/C(=C\CC1CC=C(C1(C)C)C)/CO

>  <InChI Std. ID>
InChI=1S/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3/b12-7+

>  <InChI Key>
KHQDWCKZXLWDNM-KPKJPENVSA-N

