| (R)-1-ethyl-1,3,3-trimethylcyclohexane | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Conformation | δE | Stat. point | 1,2,3,4 | 2,3,4,5 | 3,4,5,6 | 4,5,6,1 | 5,6,1,2 | 6,1,2,3 | 1,6,7,8 |
| C | 0.00 | min | 46.2 | -50.8 | 58.2 | -58.6 | 52.3 | -47.4 | -178.9 |
| C | 0.35 | min | -48.0 | 52.4 | -59.0 | 58.3 | -51.8 | 48.0 | 173.1 |
| C | 0.74 | min | -48.1 | 52.2 | -58.7 | 57.9 | -51.6 | 48.1 | -74.6 |
| C | 0.74 | min | 44.9 | -50.6 | 59.5 | -59.5 | 51.3 | -45.5 | -62.3 |
| C | 1.64 | min | 47.7 | -51.7 | 58.1 | -58.0 | 51.6 | -47.8 | 66.7 |
| C + Et | 3.72 | saddle | -46.4 | 52.3 | -60.3 | 59.7 | -52.2 | 46.8 | -127.4 |
| TB | 4.10 | min | 28.9 | 30.6 | -67.5 | 40.3 | 17.6 | -54.9 | 179.3 |
| TB | 4.10 | min | -28.4 | -31.0 | 67.6 | -40.0 | -17.8 | 54.7 | -55.7 |
| TB | 4.21 | min | 53.4 | -15.7 | -41.9 | 67.2 | -29.8 | -29.3 | -176.7 |
| TB | 4.46 | min | -54.2 | 15.5 | 42.4 | -67.6 | 29.4 | 30.2 | -73.6 |
| TB | 4.49 | min | -54.4 | 16.2 | 41.7 | -67.4 | 29.8 | 29.9 | 179.8 |
| TB | 4.51 | min | 54.0 | -18.4 | -38.9 | 66.6 | -31.4 | -27.6 | -62.7 |
| TB | 4.60 | min | -29.2 | -30.3 | 67.4 | -40.3 | -17.4 | 55.0 | -167.7 |
| TB | 4.79 | min | 27.6 | -56.3 | 27.5 | 29.2 | -56.8 | 26.9 | -178.1 |
| TB | 4.83 | min | 28.3 | 31.1 | -67.8 | 40.1 | 17.6 | -54.7 | -72.1 |
| TB | 4.92 | min | 54.3 | -15.9 | -41.8 | 67.0 | -28.9 | -30.2 | 71.8 |
| C + Et | 5.04 | saddle | 46.9 | -51.9 | 59.4 | -58.2 | 51.0 | -47.1 | -0.2 |
| TB | 5.23 | min | 25.2 | -55.3 | 28.7 | 27.3 | -56.3 | 28.7 | -63.4 |
| B | 5.33 | saddle | 37.8 | 13.2 | -63.0 | 62.3 | -12.4 | -38.4 | 178.6 |
| TB | 5.39 | min | -30.0 | 59.6 | -31.5 | -25.3 | 53.7 | -24.4 | -51.9 |
| TB | 5.49 | min | 29.9 | 28.4 | -65.8 | 40.5 | 16.3 | -54.1 | 52.1 |
| C + Et | 5.55 | saddle | 47.2 | -52.0 | 59.2 | -57.9 | 50.9 | -47.4 | -121.6 |
| B | 5.55 | saddle | -38.1 | -12.6 | 62.7 | -62.9 | 13.3 | 37.8 | -64.9 |
| TB | 5.56 | min | -28.1 | 58.3 | -31.0 | -26.0 | 55.1 | -26.4 | -165.3 |
| TB | 5.74 | min | 24.3 | -56.3 | 31.4 | 24.3 | -55.3 | 29.5 | 50.5 |
| TB | 6.17 | saddle | 36.5 | 14.3 | -63.5 | 62.1 | -12.5 | -37.6 | -72.3 |
| TB | 6.36 | saddle | 36.1 | 14.7 | -63.6 | 62.2 | -12.3 | -37.4 | 58.1 |
| TB | 6.39 | min | -30.2 | 38.2 | -54.9 | 63.0 | -53.8 | 38.0 | 72.1 |
| B | 6.77 | saddle | -2.7 | -43.9 | 43.9 | 3.6 | -48.5 | 48.3 | -56.2 |
| TB | 7.00 | min | -15.7 | -39.5 | 65.8 | -32.6 | -21.4 | 47.5 | 66.7 |
| B | 7.06 | saddle | 0.7 | 45.7 | -43.9 | -4.9 | 49.4 | -47.3 | -169.5 |
| B | 7.10 | saddle | -53.7 | 46.2 | 3.5 | -48.9 | 41.4 | 10.4 | -43.5 |
| TB | 7.44 | min | -4.0 | 36.8 | -19.1 | -30.8 | 62.5 | -43.9 | 62.2 |
| TB | 7.63 | saddle | 11.5 | 32.9 | -33.2 | -11.5 | 53.9 | -54.2 | 53.7 |
| half-C | 8.29 | saddle | -4.2 | -32.5 | 68.2 | -66.3 | 29.8 | 5.6 | -56.0 |
| TB | 8.42 | saddle | 50.7 | -51.5 | 8.3 | 38.1 | -38.8 | -6.4 | 63.6 |
| c2 | 8.52 | saddle | 7.3 | 24.1 | -61.8 | 69.4 | -37.9 | -0.3 | 57.7 |
| half-C | 8.67 | saddle | -4.8 | -32.6 | 68.4 | -65.8 | 28.8 | 6.7 | -165.6 |
| half-C | 8.78 | saddle | 19.5 | 9.5 | 0.9 | -39.8 | 66.8 | -56.8 | -175.9 |
| half-C | 8.86 | saddle | 1.7 | 33.7 | -68.4 | 66.6 | -31.4 | -2.9 | -169.0 |
| half-C | 9.20 | saddle | 18.3 | 11.3 | -0.6 | -39.4 | 66.9 | -56.5 | -70.0 |
| half-C | 9.39 | saddle | 2.4 | 32.8 | -68.0 | 67.0 | -32.0 | -2.7 | -67.2 |
| half-C | 9.58 | saddle | -8.3 | -6.6 | -15.9 | 53.7 | -67.5 | 44.1 | 69.3 |
| C + Et | 9.69 | saddle | -39.8 | 51.6 | -64.3 | 62.3 | -48.6 | 38.8 | 117.8 |
| TB | 10.03 | saddle | 53.9 | -16.8 | -40.2 | 65.8 | -29.3 | -29.5 | -119.9 |
| TB | 10.07 | min | -25.7 | -33.1 | 67.6 | -38.5 | -18.6 | 53.4 | 19.0 |
| TB | 10.13 | min | -50.5 | 6.4 | 49.8 | -66.6 | 23.2 | 34.6 | 20.9 |
| TB | 10.30 | saddle | 29.1 | 31.1 | -68.9 | 41.4 | 16.5 | -55.0 | 1.4 |
| TB | 10.33 | saddle | 54.7 | -19.2 | -37.8 | 64.9 | -29.8 | -28.8 | 3.8 |
| TB | 10.81 | saddle | 29.4 | -57.9 | 30.2 | 25.7 | -53.1 | 24.1 | 119.3 |
| B + Et r | 12.22 | saddle | |||||||
| half-C | 14.16 | saddle | |||||||
| half-C | 14.51 | saddle | |||||||
| half-C | 15.04 | saddle | -8.2 | 51.8 | -75.7 | 51.5 | -8.9 | -13.5 | 126.6 |
| half-C | 15.09 | saddle |