
 GERANIOL

 29 28  0  0  0  0  0  0  0  0999 V2000
    0.0745   -1.1414   -0.6333 C   0  0  0  0  0
    0.9354   -1.6163   -1.7708 C   0  0  0  0  0
    2.1160   -2.2527   -1.6416 C   0  0  0  0  0
    2.8330   -2.6343   -0.3725 C   0  0  0  0  0
    3.0292   -4.1516   -0.2211 C   0  0  0  0  0
    1.7419   -4.9397   -0.0613 C   0  0  0  0  0
    1.1105   -5.5822   -1.0651 C   0  0  0  0  0
    1.4832   -5.6245   -2.5120 C   0  0  0  0  0
    1.6472   -6.9831   -2.8890 O   0  0  0  0  0
    1.1855   -4.9842    1.3381 C   0  0  0  0  0
    0.3627   -1.3317   -3.1357 C   0  0  0  0  0
   -0.9525   -1.5006   -0.7603 H   0  0  0  0  0
    0.0553   -0.0461   -0.6132 H   0  0  0  0  0
    0.4117   -1.4872    0.3453 H   0  0  0  0  0
    2.6453   -2.5399   -2.5499 H   0  0  0  0  0
    2.3447   -2.2341    0.5200 H   0  0  0  0  0
    3.8242   -2.1636   -0.4040 H   0  0  0  0  0
    3.6592   -4.3333    0.6601 H   0  0  0  0  0
    3.6182   -4.5330   -1.0629 H   0  0  0  0  0
    0.1888   -6.1187   -0.8414 H   0  0  0  0  0
    2.4055   -5.0915   -2.7513 H   0  0  0  0  0
    0.6792   -5.1937   -3.1167 H   0  0  0  0  0
    2.2888   -7.3647   -2.2682 H   0  0  0  0  0
    0.8604   -3.9876    1.6521 H   0  0  0  0  0
    1.9457   -5.3419    2.0408 H   0  0  0  0  0
    0.3253   -5.6580    1.4196 H   0  0  0  0  0
   -0.5843   -1.8662   -3.2655 H   0  0  0  0  0
    1.0335   -1.6435   -3.9426 H   0  0  0  0  0
    0.1760   -0.2590   -3.2543 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2 11  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4 16  1  0  0  0
  4 17  1  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6 10  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 20  1  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 23  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
M  END

>  <Chemical Name>
GERANIOL

>  <PubChem CID>
637566

>  <Formula>
C10H18O

>  <Molecular Weight>
154.253000

>  <IUPAC Name>
(2E)-3,7-dimethylocta-2,6-dien-1-ol

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(=CCCC(=CCO)C)C

>  <Isomeric SMILES>
CC(=CCC/C(=C/CO)/C)C

>  <InChI Std. ID>
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+

>  <InChI Key>
GLZPCOQZEFWAFX-JXMROGBWSA-N

