
 2-t-Butylcyclohexyloxy-2-butanol

 44 44  0  0  0  0  0  0  0  0999 V2000
    3.5734    0.1484   -1.4625 C   0  0  0  0  0
    2.9907    0.8520   -0.2433 C   0  0  0  0  0
    1.4961    0.5609   -0.0710 C   0  0  0  0  0
    0.9232    1.2008    1.2033 C   0  0  0  0  0
    0.9739    2.6230    1.0441 O   0  0  0  0  0
    0.4991    3.3773    2.1791 C   0  0  0  0  0
    1.1082    4.7743    1.9954 C   0  0  0  0  0
    0.5710    5.4845    0.7556 C   0  0  0  0  0
   -0.9497    5.5352    0.7356 C   0  0  0  0  0
   -1.5836    4.1683    0.9690 C   0  0  0  0  0
   -1.0576    3.3937    2.2033 C   0  0  0  0  0
   -1.7401    3.7260    3.5928 C   0  0  0  0  0
   -3.2776    3.5951    3.4692 C   0  0  0  0  0
   -1.2901    2.6881    4.6511 C   0  0  0  0  0
   -1.4421    5.1175    4.1689 C   0  0  0  0  0
    0.7845    1.0831   -1.1996 O   0  0  0  0  0
    4.6480    0.3444   -1.5333 H   0  0  0  0  0
    3.1058    0.5007   -2.3874 H   0  0  0  0  0
    3.4304   -0.9350   -1.3953 H   0  0  0  0  0
    3.1582    1.9290   -0.3604 H   0  0  0  0  0
    3.5355    0.5256    0.6496 H   0  0  0  0  0
    1.3283   -0.5211   -0.0411 H   0  0  0  0  0
    1.4942    0.8950    2.0857 H   0  0  0  0  0
   -0.1168    0.8826    1.3136 H   0  0  0  0  0
    0.9199    2.9276    3.0831 H   0  0  0  0  0
    2.1966    4.6828    1.8861 H   0  0  0  0  0
    0.9406    5.3997    2.8738 H   0  0  0  0  0
    0.9730    6.5034    0.7128 H   0  0  0  0  0
    0.9286    4.9718   -0.1458 H   0  0  0  0  0
   -1.3047    6.2537    1.4776 H   0  0  0  0  0
   -1.2808    5.9209   -0.2364 H   0  0  0  0  0
   -2.6722    4.2676    0.9868 H   0  0  0  0  0
   -1.3733    3.5554    0.0802 H   0  0  0  0  0
   -1.3845    2.3637    2.0076 H   0  0  0  0  0
   -3.7075    4.4008    2.8659 H   0  0  0  0  0
   -3.7613    3.6479    4.4519 H   0  0  0  0  0
   -3.5593    2.6378    3.0171 H   0  0  0  0  0
   -0.2305    2.7936    4.9031 H   0  0  0  0  0
   -1.4572    1.6643    4.2998 H   0  0  0  0  0
   -1.8489    2.8100    5.5870 H   0  0  0  0  0
   -0.3922    5.2293    4.4489 H   0  0  0  0  0
   -2.0193    5.2872    5.0869 H   0  0  0  0  0
   -1.7165    5.9191    3.4824 H   0  0  0  0  0
    0.7362    2.0479   -1.0416 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3 16  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 15  1  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 15 43  1  0  0  0
 16 44  1  0  0  0
M  END

>  <Chemical Name>
2-t-Butylcyclohexyloxy-2-butanol

>  <PubChem CID>
164422

>  <Formula>
C14H28O2

>  <Molecular Weight>
228.376000

>  <IUPAC Name>
1-(2-tert-butylcyclohexyl)oxybutan-2-ol

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC(COC1CCCCC1C(C)(C)C)O

>  <Isomeric SMILES>
CCC(COC1CCCCC1C(C)(C)C)O

>  <InChI Std. ID>
InChI=1S/C14H28O2/c1-5-11(15)10-16-13-9-7-6-8-12(13)14(2,3)4/h11-13,15H,5-10H2,1-4H3

>  <InChI Key>
GQBVHGLNSHPKPG-UHFFFAOYSA-N

