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Geometry for C6H10 (Cyclopentene, 4-methyl-) 1A C1

1910171554
InChI=1S/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3 INChIKey=FWMRUAODTCVEQK-UHFFFAOYSA-N

wB97X-D/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -2.4406 -1.2893 -0.1309   -2.4411 -1.2893 -0.1219
C2 -1.5539 -0.6669 -0.0639   -1.5542 -0.6669 -0.0581
H3 -2.4406 1.2893 -0.1309   -2.4411 1.2893 -0.1219
C4 -1.5539 0.6669 -0.0639   -1.5542 0.6669 -0.0581
H5 0.1441 -1.6091 -0.9953   0.1404 -1.6091 -0.9958
H6 -0.0442 -2.0559 0.6976   -0.0416 -2.0559 0.6977
C7 -0.1524 -1.2245 -0.0079   -0.1525 -1.2245 -0.0074
H8 -0.0442 2.0559 0.6975   -0.0416 2.0559 0.6977
H9 0.1441 1.6091 -0.9953   0.1404 1.6091 -0.9958
C10 -0.1525 1.2245 -0.0080   -0.1525 1.2245 -0.0074
H11 0.7752 0.0000 1.4885   0.7807 0.0000 1.4856
C12 0.7058 0.0000 0.3932   0.7072 0.0000 0.3905
H13 2.6789 -0.8848 0.1331   2.6794 -0.8848 0.1232
H14 2.6789 0.8848 0.1331   2.6794 0.8848 0.1232
H15 2.0851 0.0000 -1.2813   2.0803 0.0000 -1.2890
C16 2.1175 0.0000 -0.1855   2.1168 0.0000 -0.1933
Atom - Atom Distances (Å)
  H1 C2 H3 C4 H5 H6 C7 H8 H9 C10 H11 C12 H13 H14 H15 C16
H1 1.0854 2.5787 2.1489 2.7441 2.6490 2.2924 4.1976 3.9786 3.4015 3.8245 3.4405 5.1423 5.5684 4.8444 4.7373
C2 1.0854 2.1489 1.3339 2.1537 2.1882 1.5093 3.2052 2.9885 2.3547 2.8775 2.4000 4.2430 4.5126 3.8948 3.7335
H3 2.5787 2.1489 1.0854 3.9786 4.1976 3.4015 2.6489 2.7441 2.2924 3.8245 3.4405 5.5684 5.1423 4.8444 4.7373
C4 2.1489 1.3339 1.0854 2.9886 3.2052 2.3547 2.1882 2.1537 1.5093 2.8774 2.4000 4.5126 4.2430 3.8948 3.7335
H5 2.7441 2.1537 3.9786 2.9886 1.7609 1.1004 4.0415 3.2183 3.0153 3.0261 2.1983 2.8676 3.7308 2.5374 2.6720
H6 2.6490 2.1882 4.1976 3.2052 1.7609 1.0958 4.1118 4.0415 3.3571 2.3503 2.2095 3.0175 4.0475 3.5604 3.1112
C7 2.2924 1.5093 3.4015 2.3547 1.1004 1.0958 3.3571 3.0153 2.4489 2.1446 1.5481 2.8552 3.5335 2.8508 2.5853
H8 4.1976 3.2052 2.6489 2.1882 4.0415 4.1118 3.3571 1.7609 1.0958 2.3503 2.2095 4.0475 3.0175 3.5604 3.1112
H9 3.9786 2.9885 2.7441 2.1537 3.2183 4.0415 3.0153 1.7609 1.1004 3.0261 2.1983 3.7308 2.8676 2.5374 2.6720
C10 3.4015 2.3547 2.2924 1.5093 3.0153 3.3571 2.4489 1.0958 1.1004 2.1446 1.5481 3.5335 2.8552 2.8508 2.5853
H11 3.8245 2.8775 3.8245 2.8774 3.0261 2.3503 2.1446 2.3503 3.0261 2.1446 1.0976 2.4989 2.4989 3.0639 2.1457
C12 3.4405 2.4000 3.4405 2.4000 2.1983 2.2095 1.5481 2.2095 2.1983 1.5481 1.0976 2.1780 2.1780 2.1694 1.5257
H13 5.1423 4.2430 5.5684 4.5126 2.8676 3.0175 2.8552 4.0475 3.7308 3.5335 2.4989 2.1780 1.7697 1.7709 1.0953
H14 5.5684 4.5126 5.1423 4.2430 3.7308 4.0475 3.5335 3.0175 2.8676 2.8552 2.4989 2.1780 1.7697 1.7709 1.0953
H15 4.8444 3.8948 4.8444 3.8948 2.5374 3.5604 2.8508 3.5604 2.5374 2.8508 3.0639 2.1694 1.7709 1.7709 1.0963
C16 4.7373 3.7335 4.7373 3.7335 2.6720 3.1112 2.5853 3.1112 2.6720 2.5853 2.1457 1.5257 1.0953 1.0953 1.0963
Maximum atom distance is 5.5684Å between atoms H1 and H14.
picture of Cyclopentene, 4-methyl-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C4 C10 111.677 C2 C7 C12 103.427
C4 C2 C7 111.677 C4 C10 C12 103.427
C7 C12 C10 104.544 C7 C12 C16 114.500
C10 C12 C16 114.500
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C4 124.989 H1 C2 C7 123.301
C2 C4 H3 124.989 C2 C7 H5 110.250
C2 C7 H6 113.320 H3 C4 C10 123.301
C4 C10 H8 113.320 C4 C10 H9 110.251
H5 C7 H6 106.607 H5 C7 C12 111.075
H6 C7 C12 112.244 C7 C12 H11 107.075
H8 C10 H9 106.607 H8 C10 C12 112.244
H9 C10 C12 111.075 C10 C12 H11 107.076
H11 C12 C16 108.661 C12 C16 H13 111.343
C12 C16 H14 111.343 C12 C16 H15 110.592
H13 C16 H14 107.778 H13 C16 H15 107.814
H14 C16 H15 107.814

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.