
 54464-57-2

 43 44  0  0  0  0  0  0  0  0999 V2000
    0.8966   -0.1922    0.0013 C   0  0  0  0  0
    2.4221   -0.0371    0.0219 C   0  0  0  0  0
    3.0818   -1.3760   -0.3563 C   0  0  0  0  0
    4.5656   -1.2959   -0.6398 C   0  0  0  0  0
    5.2305   -0.1258   -0.7756 C   0  0  0  0  0
    4.4960    1.2024   -0.6778 C   0  0  0  0  0
    2.9580    1.1255   -0.8563 C   0  0  0  0  0
    2.6401    0.9153   -2.3577 C   0  0  0  0  0
    2.3281    2.4705   -0.4180 C   0  0  0  0  0
    1.5496    3.0914   -1.1472 O   0  0  0  0  0
    2.6762    3.0434    0.9365 C   0  0  0  0  0
    6.7487   -0.0659   -1.0281 C   0  0  0  0  0
    7.4208   -1.4370   -0.7484 C   0  0  0  0  0
    6.6397   -2.5962   -1.3484 C   0  0  0  0  0
    5.2312   -2.6467   -0.7703 C   0  0  0  0  0
    7.0033    0.3368   -2.4969 C   0  0  0  0  0
    7.4382    0.9665   -0.1106 C   0  0  0  0  0
    0.3963    0.7267    0.3211 H   0  0  0  0  0
    0.5868   -0.9872    0.6887 H   0  0  0  0  0
    0.5256   -0.4566   -0.9934 H   0  0  0  0  0
    2.6979    0.1660    1.0660 H   0  0  0  0  0
    2.5877   -1.8031   -1.2387 H   0  0  0  0  0
    2.9143   -2.0835    0.4664 H   0  0  0  0  0
    4.7434    1.6183    0.3059 H   0  0  0  0  0
    4.8929    1.9113   -1.4141 H   0  0  0  0  0
    3.0772   -0.0039   -2.7586 H   0  0  0  0  0
    3.0331    1.7457   -2.9572 H   0  0  0  0  0
    1.5614    0.8772   -2.5427 H   0  0  0  0  0
    3.6541    3.5281    0.8940 H   0  0  0  0  0
    2.6681    2.2703    1.7057 H   0  0  0  0  0
    1.9276    3.7927    1.2118 H   0  0  0  0  0
    8.4460   -1.4477   -1.1395 H   0  0  0  0  0
    7.5047   -1.5987    0.3354 H   0  0  0  0  0
    6.5932   -2.5006   -2.4393 H   0  0  0  0  0
    7.1545   -3.5417   -1.1414 H   0  0  0  0  0
    4.6220   -3.3026   -1.4041 H   0  0  0  0  0
    5.2667   -3.1079    0.2250 H   0  0  0  0  0
    6.4744   -0.3185   -3.1976 H   0  0  0  0  0
    8.0714    0.2899   -2.7387 H   0  0  0  0  0
    6.6744    1.3618   -2.7008 H   0  0  0  0  0
    7.2231    0.7656    0.9454 H   0  0  0  0  0
    7.1149    1.9905   -0.3280 H   0  0  0  0  0
    8.5267    0.9407   -0.2393 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  7  1  0  0  0
  2  3  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 15  1  0  0  0
  5  6  1  0  0  0
  5 12  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 17  1  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
M  END

>  <Chemical Name>
54464-57-2

>  <PubChem CID>
108242

>  <Formula>
C16H26O

>  <Molecular Weight>
234.383000

>  <IUPAC Name>
1-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1CC2=C(CC1(C)C(=O)C)C(CCC2)(C)C

>  <Isomeric SMILES>
CC1CC2=C(CC1(C)C(=O)C)C(CCC2)(C)C

>  <InChI Std. ID>
InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3

>  <InChI Key>
FVUGZKDGWGKCFE-UHFFFAOYSA-N

