
 3,7-Dimethyl-1-octanol

 33 32  0  0  0  0  0  0  0  0999 V2000
    7.4777   -1.0379    1.9552 C   0  0  0  0  0
    6.2863   -1.4734    1.1014 C   0  0  0  0  0
    5.4552   -2.5079    1.8644 C   0  0  0  0  0
    5.3927   -0.2873    0.6936 C   0  0  0  0  0
    6.0984    0.7334   -0.2063 C   0  0  0  0  0
    5.1284    1.8390   -0.6405 C   0  0  0  0  0
    5.7891    2.9727   -1.4523 C   0  0  0  0  0
    6.4506    2.4448   -2.7304 C   0  0  0  0  0
    4.7699    4.0663   -1.8334 C   0  0  0  0  0
    4.1645    4.7991   -0.6419 C   0  0  0  0  0
    3.3229    5.8386   -1.1266 O   0  0  0  0  0
    8.1671   -0.4075    1.3853 H   0  0  0  0  0
    8.0469   -1.9076    2.3017 H   0  0  0  0  0
    7.1502   -0.4760    2.8369 H   0  0  0  0  0
    6.6711   -1.9548    0.1935 H   0  0  0  0  0
    5.0409   -2.0840    2.7857 H   0  0  0  0  0
    6.0657   -3.3759    2.1350 H   0  0  0  0  0
    4.6215   -2.8665    1.2512 H   0  0  0  0  0
    5.0162    0.2167    1.5926 H   0  0  0  0  0
    4.5144   -0.6743    0.1600 H   0  0  0  0  0
    6.4988    0.2144   -1.0834 H   0  0  0  0  0
    6.9412    1.1882    0.3251 H   0  0  0  0  0
    4.6760    2.2603    0.2650 H   0  0  0  0  0
    4.3112    1.3965   -1.2248 H   0  0  0  0  0
    6.5719    3.4330   -0.8357 H   0  0  0  0  0
    5.7332    1.8940   -3.3490 H   0  0  0  0  0
    7.2885    1.7795   -2.5021 H   0  0  0  0  0
    6.8522    3.2682   -3.3317 H   0  0  0  0  0
    3.9625    3.6369   -2.4404 H   0  0  0  0  0
    5.2549    4.8089   -2.4808 H   0  0  0  0  0
    4.9460    5.2474   -0.0200 H   0  0  0  0  0
    3.5529    4.1334   -0.0269 H   0  0  0  0  0
    2.9284    6.2714   -0.3501 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  4  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  3 16  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 11 33  1  0  0  0
M  END

>  <Chemical Name>
3,7-Dimethyl-1-octanol

>  <PubChem CID>
7792

>  <Formula>
C10H22O

>  <Molecular Weight>
158.285000

>  <IUPAC Name>
3,7-dimethyloctan-1-ol

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

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

>  <Isomeric SMILES>
CC(C)CCCC(C)CCO

>  <InChI Std. ID>
InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3

>  <InChI Key>
PRNCMAKCNVRZFX-UHFFFAOYSA-N

