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Geometry for C4H10O (Methyl propyl ether) 1A' C2

1910171554
InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3 INChIKey=VNKYTQGIUYNRMY-UHFFFAOYSA-N

MP2=FULL/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -2.4169 0.4988 0.0000   -2.4553 0.2491 0.0000
O2 -1.2562 -0.3985 0.0000   -1.2088 -0.5249 0.0000
C3 0.0000 0.3617 0.0000   -0.0370 0.3598 0.0000
C4 1.1324 -0.6740 0.0000   1.1954 -0.5547 0.0000
C5 2.5246 0.0032 0.0000   2.5111 0.2613 0.0000
H6 -3.2967 -0.1472 0.0000   -3.2644 -0.4835 0.0000
H7 -2.4353 1.1417 0.8914   -2.5393 0.8867 0.8914
H8 -2.4353 1.1417 -0.8914   -2.5393 0.8867 -0.8914
H9 0.0688 1.0064 0.8907   -0.0344 1.0081 0.8907
H10 0.0688 1.0064 -0.8907   -0.0344 1.0081 -0.8907
H11 1.0132 -1.3080 -0.8843   1.1416 -1.1975 -0.8843
H12 1.0132 -1.3080 0.8843   1.1416 -1.1975 0.8843
H13 2.6456 0.6327 0.8886   2.5670 0.8999 0.8886
H14 2.6456 0.6327 -0.8886   2.5670 0.8999 -0.8886
H15 3.3208 -0.7479 0.0000   3.3798 -0.4044 0.0000
Atom - Atom Distances (Å)
  C1 O2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.4672 2.4208 3.7381 4.9663 1.0915 1.0992 1.0992 2.6888 2.6888 3.9764 3.9764 5.1416 5.1416 5.8716
O2 1.4672 1.4683 2.4044 3.8021 2.0560 2.1348 2.1348 2.1266 2.1266 2.5998 2.5998 4.1324 4.1324 4.5902
C3 2.4208 1.4683 1.5346 2.5500 3.3357 2.7081 2.7081 1.1017 1.1017 2.1439 2.1439 2.8040 2.8040 3.5012
C4 3.7381 2.4044 1.5346 1.5482 4.4604 4.1013 4.1013 2.1791 2.1791 1.0946 1.0946 2.1879 2.1879 2.1896
C5 4.9663 3.8021 2.5500 1.5482 5.8233 5.1664 5.1664 2.7983 2.7983 2.1876 2.1876 1.0957 1.0957 1.0945
H6 1.0915 2.0560 3.3357 4.4604 5.8233 1.7882 1.7882 3.6675 3.6675 4.5502 4.5502 6.0588 6.0588 6.6447
H7 1.0992 2.1348 2.7081 4.1013 5.1664 1.7882 1.7827 2.5078 3.0765 4.5876 4.2300 5.1063 5.4077 6.1235
H8 1.0992 2.1348 2.7081 4.1013 5.1664 1.7882 1.7827 3.0765 2.5078 4.2300 4.5876 5.4077 5.1063 6.1235
H9 2.6888 2.1266 1.1017 2.1791 2.7983 3.6675 2.5078 3.0765 1.7814 3.0657 2.4996 2.6037 3.1536 3.8008
H10 2.6888 2.1266 1.1017 2.1791 2.7983 3.6675 3.0765 2.5078 1.7814 2.4996 3.0657 3.1536 2.6037 3.8008
H11 3.9764 2.5998 2.1439 1.0946 2.1876 4.5502 4.5876 4.2300 3.0657 2.4996 1.7686 3.0942 2.5360 2.5339
H12 3.9764 2.5998 2.1439 1.0946 2.1876 4.5502 4.2300 4.5876 2.4996 3.0657 1.7686 2.5360 3.0942 2.5339
H13 5.1416 4.1324 2.8040 2.1879 1.0957 6.0588 5.1063 5.4077 2.6037 3.1536 3.0942 2.5360 1.7773 1.7753
H14 5.1416 4.1324 2.8040 2.1879 1.0957 6.0588 5.4077 5.1063 3.1536 2.6037 2.5360 3.0942 1.7773 1.7753
H15 5.8716 4.5902 3.5012 2.1896 1.0945 6.6447 6.1235 6.1235 3.8008 3.8008 2.5339 2.5339 1.7753 1.7753
Maximum atom distance is 6.6447Å between atoms H6 and H15.
picture of Methyl propyl ether
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 C3 111.114 O2 C3 C4 106.373
C3 C4 C5 111.615
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H6 106.008 O2 C1 H7 111.777
O2 C1 H8 111.777 O2 C3 H9 110.881
O2 C3 H10 110.881 C3 C4 H11 108.087
C3 C4 H12 108.087 C4 C3 H9 110.417
C4 C3 H10 110.417 C4 C5 H13 110.522
C4 C5 H14 110.522 C4 C5 H15 110.729
C5 C4 H11 110.568 C5 C4 H12 110.568
H6 C1 H7 109.431 H6 C1 H8 109.431
H7 C1 H8 108.371 H9 C3 H10 107.894
H11 C4 H12 107.782 H13 C5 H14 108.387
H13 C5 H15 108.299 H14 C5 H15 108.299

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