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Geometry for CH2CHCH2CH2CH3 (1-pentene) 1A C1

1910171554
InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3 INChIKey=YWAKXRMUMFPDSH-UHFFFAOYSA-N

QCISD/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 2.4768 -0.2272 -0.3047   -2.4752 -0.2740 0.2787
C2 1.4143 0.3516 0.2687   -1.4159 0.3839 -0.2093
C3 0.0698 -0.3025 0.4462   -0.0713 -0.2349 -0.4850
C4 -1.0518 0.4456 -0.2879   1.0523 0.4015 0.3451
C5 -2.4228 -0.2004 -0.0817   2.4234 -0.2051 0.0421
H6 3.4250 0.2949 -0.4168   -3.4236 0.2244 0.4688
H7 2.4375 -1.2491 -0.6812   -2.4327 -1.3396 0.5031
H8 1.4986 1.3801 0.6304   -1.5033 1.4537 -0.4181
H9 0.1165 -1.3415 0.0875   -0.1149 -1.3150 -0.2801
H10 -0.1778 -0.3513 1.5190   0.1718 -0.1276 -1.5546
H11 -1.0785 1.4897 0.0587   1.0761 1.4847 0.1530
H12 -0.8124 0.4824 -1.3604   0.8175 0.2822 1.4125
H13 -3.2079 0.3479 -0.6172   3.2100 0.2616 0.6481
H14 -2.4273 -1.2361 -0.4464   2.4310 -1.2826 0.2531
H15 -2.6916 -0.2199 0.9828   2.6877 -0.0698 -1.0151
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.3390 2.5226 3.5922 4.9048 1.0882 1.0898 2.1011 2.6395 3.2232 3.9649 3.5266 5.7223 5.0089 5.3264
C2 1.3390 1.5056 2.5298 3.8924 2.1251 2.1241 1.0935 2.1410 2.1429 2.7483 2.7620 4.7063 4.2178 4.2065
C3 2.5226 1.5056 1.5351 2.5499 3.5155 2.7880 2.2151 1.1002 1.1021 2.1635 2.1582 3.5067 2.8114 2.8143
C4 3.5922 2.5298 1.5351 1.5296 4.4812 3.8989 2.8672 2.1678 2.1596 1.1004 1.0994 2.1833 2.1784 2.1787
C5 4.9048 3.8924 2.5499 1.5296 5.8783 5.0081 4.2875 2.7890 2.7613 2.1640 2.1667 1.0972 1.0980 1.0981
H6 1.0882 2.1251 3.5155 4.4812 5.8783 1.8518 2.4465 3.7254 4.1407 4.6835 4.3452 6.6362 6.0493 6.2958
H7 1.0898 2.1241 2.7880 3.8989 5.0081 1.8518 3.0845 2.4467 3.5336 4.5178 3.7444 5.8672 4.8704 5.4895
H8 2.1011 1.0935 2.2151 2.8672 4.2875 2.4465 3.0845 3.1004 2.5686 2.6421 3.1795 4.9773 4.8391 4.4991
H9 2.6395 2.1410 1.1002 2.1678 2.7890 3.7254 2.4467 3.1004 1.7653 3.0732 2.5071 3.7950 2.6013 3.1535
H10 3.2232 2.1429 1.1021 2.1596 2.7613 4.1407 3.5336 2.5686 1.7653 2.5166 3.0641 3.7728 3.1154 2.5737
H11 3.9649 2.7483 2.1635 1.1004 2.1640 4.6835 4.5178 2.6421 3.0732 2.5166 1.7604 2.5089 3.0828 2.5255
H12 3.5266 2.7620 2.1582 1.0994 2.1667 4.3452 3.7444 3.1795 2.5071 3.0641 1.7604 2.5118 2.5291 3.0847
H13 5.7223 4.7063 3.5067 2.1833 1.0972 6.6362 5.8672 4.9773 3.7950 3.7728 2.5089 2.5118 1.7741 1.7745
H14 5.0089 4.2178 2.8114 2.1784 1.0980 6.0493 4.8704 4.8391 2.6013 3.1154 3.0828 2.5291 1.7741 1.7735
H15 5.3264 4.2065 2.8143 2.1787 1.0981 6.2958 5.4895 4.4991 3.1535 2.5737 2.5255 3.0847 1.7745 1.7735
Maximum atom distance is 6.6362Å between atoms H6 and H13.
picture of 1-pentene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 124.840 C2 C3 C4 112.600
C3 C4 C5 112.618
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 119.145 C2 C1 H6 121.880
C2 C1 H7 121.641 C2 C3 H9 109.512
C2 C3 H10 109.551 C3 C2 H8 116.009
C3 C4 H11 109.238 C3 C4 H12 108.886
C4 C3 H9 109.588 C4 C3 H10 108.842
C4 C5 H13 111.378 C4 C5 H14 110.932
C4 C5 H15 110.953 C5 C4 H11 109.660
C5 C4 H12 109.928 H6 C1 H7 116.478
H9 C3 H10 106.564 H11 C4 H12 106.309
H13 C5 H14 107.837 H13 C5 H15 107.870
H14 C5 H15 107.714

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