
 107715-18-4

 37 39  0  0  0  0  0  0  0  0999 V2000
    0.3369   -1.3754   -1.0395 C   0  0  0  0  0
    1.7602   -0.8415   -1.2489 C   0  0  0  0  0
    3.2021   -0.7764   -0.6489 C   0  0  0  0  0
    3.9539   -0.1059   -1.9200 C   0  0  0  0  0
    3.2380   -0.7000   -3.1486 C   0  0  0  0  0
    2.3600   -1.7118   -2.4616 C   0  0  0  0  0
    3.3927   -2.7820   -1.7977 C   0  0  0  0  0
    3.8275   -3.7780   -2.2973 O   0  0  0  0  0
    3.7850   -2.1921   -0.4263 C   0  0  0  0  0
    5.2906   -2.1923   -0.1093 C   0  0  0  0  0
    5.3916   -2.6458    1.3417 C   0  0  0  0  0
    4.2440   -3.6271    1.4692 C   0  0  0  0  0
    3.1034   -2.9326    0.7305 C   0  0  0  0  0
    1.4753   -2.5808   -3.3393 C   0  0  0  0  0
    1.4335    0.7001   -1.1020 C   0  0  0  0  0
   -0.2280   -0.9442   -0.2074 H   0  0  0  0  0
    0.1967   -2.4530   -1.0332 H   0  0  0  0  0
   -0.2197   -1.0115   -1.9314 H   0  0  0  0  0
    3.3371   -0.1779    0.2581 H   0  0  0  0  0
    3.8482    0.9832   -1.9363 H   0  0  0  0  0
    5.0231   -0.3110   -1.9663 H   0  0  0  0  0
    3.9221   -1.1301   -3.8780 H   0  0  0  0  0
    2.5978    0.0440   -3.6458 H   0  0  0  0  0
    5.7691   -1.2115   -0.2025 H   0  0  0  0  0
    5.8397   -2.8837   -0.7584 H   0  0  0  0  0
    6.3628   -3.0898    1.5759 H   0  0  0  0  0
    5.2421   -1.7914    2.0150 H   0  0  0  0  0
    4.5004   -4.5702    0.9750 H   0  0  0  0  0
    3.9938   -3.8373    2.5121 H   0  0  0  0  0
    2.3495   -3.6550    0.4032 H   0  0  0  0  0
    2.6208   -2.2226    1.4132 H   0  0  0  0  0
    1.0212   -3.4073   -2.7574 H   0  0  0  0  0
    2.0509   -3.0928   -4.1121 H   0  0  0  0  0
    0.6702   -2.0397   -3.8231 H   0  0  0  0  0
    0.7440    0.8554   -0.2534 H   0  0  0  0  0
    0.9941    1.1383   -1.9894 H   0  0  0  0  0
    2.2549    1.3465   -0.7588 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 15  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 20  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  7  1  0  0  0
  6 14  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 13 30  1  0  0  0
 13 31  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
M  END

>  <Chemical Name>
107715-18-4

>  <PubChem CID>
14818318

>  <Formula>
C14H22O

>  <Molecular Weight>
206.329000

>  <IUPAC Name>
4,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,1'-cyclopentane]-3-one

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1(C2CCC1(C(=O)C23CCCC3)C)C

>  <Isomeric SMILES>
CC1(C2CCC1(C(=O)C23CCCC3)C)C

>  <InChI Std. ID>
InChI=1S/C14H22O/c1-12(2)10-6-9-13(12,3)11(15)14(10)7-4-5-8-14/h10H,4-9H2,1-3H3

>  <InChI Key>
ZURABCSOVBIFTR-UHFFFAOYSA-N

