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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

MP2/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -2.4174 0.4991 0.0000   -2.4558 0.2492 0.0000
O2 -1.2565 -0.3986 0.0000   -1.2091 -0.5251 0.0000
C3 0.0000 0.3618 0.0000   -0.0370 0.3599 0.0000
C4 1.1326 -0.6742 0.0000   1.1956 -0.5548 0.0000
C5 2.5252 0.0031 0.0000   2.5116 0.2614 0.0000
H6 -3.2972 -0.1471 0.0000   -3.2649 -0.4836 0.0000
H7 -2.4357 1.1420 0.8915   -2.5397 0.8869 0.8915
H8 -2.4357 1.1420 -0.8915   -2.5397 0.8869 -0.8915
H9 0.0688 1.0065 0.8908   -0.0345 1.0082 0.8908
H10 0.0688 1.0065 -0.8908   -0.0345 1.0082 -0.8908
H11 1.0133 -1.3082 -0.8844   1.1418 -1.1977 -0.8844
H12 1.0133 -1.3082 0.8844   1.1418 -1.1977 0.8844
H13 2.6461 0.6327 0.8888   2.5675 0.9000 0.8888
H14 2.6461 0.6327 -0.8888   2.5675 0.9000 -0.8888
H15 3.3213 -0.7482 0.0000   3.3804 -0.4046 0.0000
Atom - Atom Distances (Å)
  C1 O2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.4675 2.4213 3.7389 4.9674 1.0916 1.0993 1.0993 2.6893 2.6893 3.9772 3.9772 5.1427 5.1427 5.8726
O2 1.4675 1.4686 2.4049 3.8029 2.0562 2.1352 2.1352 2.1270 2.1270 2.6003 2.6003 4.1332 4.1332 4.5910
C3 2.4213 1.4686 1.5349 2.5505 3.3363 2.7085 2.7085 1.1018 1.1018 2.1443 2.1443 2.8045 2.8045 3.5018
C4 3.7389 2.4049 1.5349 1.5485 4.4611 4.1020 4.1020 2.1794 2.1794 1.0947 1.0947 2.1883 2.1883 2.1899
C5 4.9674 3.8029 2.5505 1.5485 5.8243 5.1674 5.1674 2.7990 2.7990 2.1880 2.1880 1.0959 1.0959 1.0946
H6 1.0916 2.0562 3.3363 4.4611 5.8243 1.7885 1.7885 3.6680 3.6680 4.5510 4.5510 6.0598 6.0598 6.6457
H7 1.0993 2.1352 2.7085 4.1020 5.1674 1.7885 1.7830 2.5082 3.0769 4.5884 4.2308 5.1073 5.4087 6.1246
H8 1.0993 2.1352 2.7085 4.1020 5.1674 1.7885 1.7830 3.0769 2.5082 4.2308 4.5884 5.4087 5.1073 6.1246
H9 2.6893 2.1270 1.1018 2.1794 2.7990 3.6680 2.5082 3.0769 1.7816 3.0662 2.5000 2.6043 3.1543 3.8015
H10 2.6893 2.1270 1.1018 2.1794 2.7990 3.6680 3.0769 2.5082 1.7816 2.5000 3.0662 3.1543 2.6043 3.8015
H11 3.9772 2.6003 2.1443 1.0947 2.1880 4.5510 4.5884 4.2308 3.0662 2.5000 1.7689 3.0947 2.5363 2.5342
H12 3.9772 2.6003 2.1443 1.0947 2.1880 4.5510 4.2308 4.5884 2.5000 3.0662 1.7689 2.5363 3.0947 2.5342
H13 5.1427 4.1332 2.8045 2.1883 1.0959 6.0598 5.1073 5.4087 2.6043 3.1543 3.0947 2.5363 1.7775 1.7756
H14 5.1427 4.1332 2.8045 2.1883 1.0959 6.0598 5.4087 5.1073 3.1543 2.6043 2.5363 3.0947 1.7775 1.7756
H15 5.8726 4.5910 3.5018 2.1899 1.0946 6.6457 6.1246 6.1246 3.8015 3.8015 2.5342 2.5342 1.7756 1.7756
Maximum atom distance is 6.6457Å 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 111.103 O2 C3 C4 106.369
C3 C4 C5 111.616
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H6 105.993 O2 C1 H7 111.773
O2 C1 H8 111.773 O2 C3 H9 110.879
O2 C3 H10 110.879 C3 C4 H11 108.087
C3 C4 H12 108.087 C4 C3 H9 110.417
C4 C3 H10 110.417 C4 C5 H13 110.520
C4 C5 H14 110.520 C4 C5 H15 110.721
C5 C4 H11 110.566 C5 C4 H12 110.566
H6 C1 H7 109.437 H6 C1 H8 109.437
H7 C1 H8 108.381 H9 C3 H10 107.902
H11 C4 H12 107.785 H13 C5 H14 108.391
H13 C5 H15 108.304 H14 C5 H15 108.304

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