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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

CCD/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -2.4160 0.5132 0.0000   -2.4577 0.2454 0.0000
O2 -1.2599 -0.3832 0.0000   -1.2103 -0.5189 0.0000
C3 0.0000 0.3622 0.0000   -0.0397 0.3601 0.0000
C4 1.1287 -0.6845 0.0000   1.1969 -0.5567 0.0000
C5 2.5296 -0.0158 0.0000   2.5161 0.2615 0.0000
H6 -3.3019 -0.1314 0.0000   -3.2677 -0.4924 0.0000
H7 -2.4329 1.1576 0.8948   -2.5451 0.8841 0.8948
H8 -2.4329 1.1576 -0.8948   -2.5451 0.8841 -0.8948
H9 0.0751 1.0080 0.8934   -0.0358 1.0102 0.8934
H10 0.0751 1.0080 -0.8934   -0.0358 1.0102 -0.8934
H11 1.0045 -1.3204 -0.8869   1.1431 -1.2024 -0.8869
H12 1.0045 -1.3204 0.8869   1.1431 -1.2024 0.8869
H13 2.6558 0.6153 0.8917   2.5724 0.9026 0.8917
H14 2.6558 0.6153 -0.8917   2.5724 0.9026 -0.8917
H15 3.3230 -0.7752 0.0000   3.3880 -0.4064 0.0000
Atom - Atom Distances (Å)
  C1 O2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.4629 2.4207 3.7416 4.9738 1.0956 1.1028 1.1028 2.6923 2.6923 3.9810 3.9810 5.1506 5.1506 5.8819
O2 1.4629 1.4639 2.4076 3.8072 2.0575 2.1332 2.1332 2.1250 2.1250 2.6062 2.6062 4.1382 4.1382 4.5997
C3 2.4207 1.4639 1.5394 2.5576 3.3386 2.7115 2.7115 1.1049 1.1049 2.1510 2.1510 2.8129 2.8129 3.5123
C4 3.7416 2.4076 1.5394 1.5523 4.4650 4.1084 4.1084 2.1847 2.1847 1.0984 1.0984 2.1947 2.1947 2.1962
C5 4.9738 3.8072 2.5576 1.5523 5.8326 5.1772 5.1772 2.8055 2.8055 2.1942 2.1942 1.0997 1.0997 1.0983
H6 1.0956 2.0575 3.3386 4.4650 5.8326 1.7937 1.7937 3.6743 3.6743 4.5547 4.5547 6.0702 6.0702 6.6562
H7 1.1028 2.1332 2.7115 4.1084 5.1772 1.7937 1.7895 2.5124 3.0838 4.5968 4.2375 5.1175 5.4204 6.1374
H8 1.1028 2.1332 2.7115 4.1084 5.1772 1.7937 1.7895 3.0838 2.5124 4.2375 4.5968 5.4204 5.1175 6.1374
H9 2.6923 2.1250 1.1049 2.1847 2.8055 3.6743 2.5124 3.0838 1.7868 3.0749 2.5070 2.6104 3.1624 3.8114
H10 2.6923 2.1250 1.1049 2.1847 2.8055 3.6743 3.0838 2.5124 1.7868 2.5070 3.0749 3.1624 2.6104 3.8114
H11 3.9810 2.6062 2.1510 1.0984 2.1942 4.5547 4.5968 4.2375 3.0749 2.5070 1.7739 3.1044 2.5443 2.5416
H12 3.9810 2.6062 2.1510 1.0984 2.1942 4.5547 4.2375 4.5968 2.5070 3.0749 1.7739 2.5443 3.1044 2.5416
H13 5.1506 4.1382 2.8129 2.1947 1.0997 6.0702 5.1175 5.4204 2.6104 3.1624 3.1044 2.5443 1.7834 1.7815
H14 5.1506 4.1382 2.8129 2.1947 1.0997 6.0702 5.4204 5.1175 3.1624 2.6104 2.5443 3.1044 1.7834 1.7815
H15 5.8819 4.5997 3.5123 2.1962 1.0983 6.6562 6.1374 6.1374 3.8114 3.8114 2.5416 2.5416 1.7815 1.7815
Maximum atom distance is 6.6562Å 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 111.602 O2 C3 C4 106.547
C3 C4 C5 111.640
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H6 106.174 O2 C1 H7 111.726
O2 C1 H8 111.726 O2 C3 H9 110.860
O2 C3 H10 110.860 C3 C4 H11 108.103
C3 C4 H12 108.103 C4 C3 H9 110.341
C4 C3 H10 110.341 C4 C5 H13 110.536
C4 C5 H14 110.536 C4 C5 H15 110.739
C5 C4 H11 110.577 C5 C4 H12 110.577
H6 C1 H7 109.355 H6 C1 H8 109.355
H7 C1 H8 108.454 H9 C3 H10 107.911
H11 C4 H12 107.706 H13 C5 H14 108.360
H13 C5 H15 108.293 H14 C5 H15 108.293

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