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Geometry for C5H10 (1-Butene, 2-methyl-) 1A C1

1910171554
InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3 INChIKey=MHNNAWXXUZQSNM-UHFFFAOYSA-N

G3MP2
This model chemistry uses a geometry from MP2=FULL/6-31G*


Point group is C1
Atom Internal
x (Å) y (Å) z (Å)
C1 0.9694 1.3353 0.0278
H2 0.3678 1.8752 -0.7106
H3 2.0210 1.4495 -0.2466
H4 0.8106 1.8293 0.9931
C5 -1.8954 0.0791 -0.3980
H6 -1.8759 1.1674 -0.4946
H7 -2.8922 -0.2049 -0.0489
H8 -1.7461 -0.3524 -1.3915
C9 -0.8187 -0.4208 0.5679
H10 -0.9250 -1.5028 0.7023
H11 -0.9798 0.0369 1.5532
C12 0.5809 -0.1154 0.1029
C13 1.4346 -1.0919 -0.2345
H14 1.1521 -2.1389 -0.1770
H15 2.4428 -0.8771 -0.5759
Atom - Atom Distances (Å)
  C1 H2 H3 H4 C5 H6 H7 H8 C9 H10 H11 C12 C13 H14 H15
C1 1.0948 1.0928 1.0960 3.1570 2.8977 4.1582 3.4981 2.5638 3.4783 2.7951 1.5037 2.4853 3.4850 2.7258
H2 1.0948 1.7691 1.7608 2.9062 2.3626 3.9233 3.1455 2.8834 3.8831 3.2125 2.1609 3.1888 4.1246 3.4495
H3 1.0928 1.7691 1.7738 4.1521 3.9150 5.1881 4.3300 3.4965 4.2774 3.7736 2.1553 2.6083 3.6928 2.3874
H4 1.0960 1.7608 1.7738 3.5101 3.1414 4.3513 4.1210 2.8104 3.7683 2.5946 2.1511 3.2296 4.1512 3.5286
C5 3.1570 2.9062 4.1521 3.5101 1.0927 1.0936 1.0934 1.5305 2.1575 2.1557 2.5339 3.5337 3.7757 4.4460
H6 2.8977 2.3626 3.9150 3.1414 1.0927 1.7648 1.7695 2.1838 3.0768 2.5048 2.8352 4.0164 4.4946 4.7789
H7 4.1582 3.9233 5.1881 4.3513 1.0936 1.7648 1.7714 2.1741 2.4736 2.5065 3.4776 4.4207 4.4848 5.4030
H8 3.4981 3.1455 4.3300 4.1210 1.0934 1.7695 1.7714 2.1689 2.5261 3.0675 2.7756 3.4645 3.6148 4.2997
C9 2.5638 2.8834 3.4965 2.8104 1.5305 2.1838 2.1741 2.1689 1.0955 1.0983 1.5061 2.4843 2.7186 3.4863
H10 3.4783 3.8831 4.2774 3.7683 2.1575 3.0768 2.4736 2.5261 1.0955 1.7601 2.1335 2.5718 2.3436 3.6562
H11 2.7951 3.2125 3.7736 2.5946 2.1557 2.5048 2.5065 3.0675 1.0983 1.7601 2.1360 3.2093 3.5033 4.1332
C12 1.5037 2.1609 2.1553 2.1511 2.5339 2.8352 3.4776 2.7756 1.5061 2.1335 2.1360 1.3403 2.1211 2.1232
C13 2.4853 3.1888 2.6083 3.2296 3.5337 4.0164 4.4207 3.4645 2.4843 2.5718 3.2093 1.3403 1.0859 1.0860
H14 3.4850 4.1246 3.6928 4.1512 3.7757 4.4946 4.4848 3.6148 2.7186 2.3436 3.5033 2.1211 1.0859 1.8486
H15 2.7258 3.4495 2.3874 3.5286 4.4460 4.7789 5.4030 4.2997 3.4863 3.6562 4.1332 2.1232 1.0860 1.8486
Maximum atom distance is 5.4030Å between atoms H7 and H15.
picture of 1-Butene, 2-methyl-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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