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Geometry for CH2C(CH3)OCH3 (1-Propene, 2-methoxy-) 1A C1

1910171554
InChI=1S/C4H8O/c1-4(2)5-3/h1H2,2-3H3 INChIKey=YOWQWFMSQCOSBA-UHFFFAOYSA-N

HF/LANL2DZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.8641 -0.0360 0.2437   1.8669 0.0319 -0.2222
H2 1.7819 -0.2168 1.3098   1.7974 0.1904 -1.2927
H3 2.7000 -0.5876 -0.1536   2.6978 0.5922 0.1734
H4 2.0139 1.0215 0.0629   2.0148 -1.0214 -0.0175
O5 0.7040 -0.5288 -0.4492   0.6985 0.5385 0.4464
C6 -0.7729 1.3950 -0.0215   -0.7727 -1.3947 0.0414
H7 -0.1981 1.8597 0.7729   -0.1883 -1.8755 -0.7362
H8 -0.4636 1.8396 -0.9610   -0.4745 -1.8194 0.9936
H9 -1.8155 1.6263 0.1438   -1.8131 -1.6299 -0.1315
C10 -0.5653 -0.0988 -0.0646   -0.5661 0.0999 0.0558
C11 -1.5036 -1.0141 0.1636   -1.5018 1.0096 -0.2027
H12 -2.5106 -0.7292 0.3960   -2.5059 0.7194 -0.4410
H13 -1.2747 -2.0592 0.0951   -1.2741 2.0561 -0.1532
Atom - Atom Distances (Å)
  C1 H2 H3 H4 O5 C6 H7 H8 H9 C10 C11 H12 H13
C1 1.0845 1.0774 1.0832 1.4383 3.0119 2.8506 3.2230 4.0389 2.4497 3.5077 4.4319 3.7374
H2 1.0845 1.7669 1.7725 2.0864 3.3011 2.9189 3.7984 4.2069 2.7226 3.5699 4.4185 3.7701
H3 1.0774 1.7669 1.7626 2.0186 4.0011 3.9047 4.0684 5.0378 3.3029 4.2370 5.2414 4.2457
H4 1.0832 1.7725 1.7626 2.0931 2.8129 2.4697 2.8028 3.8777 2.8149 4.0652 4.8628 4.5063
O5 1.4383 2.0864 2.0186 2.0931 2.4628 2.8305 2.6898 3.3681 1.3943 2.3419 3.3299 2.5601
C6 3.0119 3.3011 4.0011 2.8129 2.4628 1.0850 1.0845 1.0806 1.5088 2.5242 2.7759 3.4924
H7 2.8506 2.9189 3.9047 2.4697 2.8305 1.0850 1.7543 1.7510 2.1615 3.2146 3.4917 4.1202
H8 3.2230 3.7984 4.0684 2.8028 2.6898 1.0845 1.7543 1.7589 2.1381 3.2388 3.5539 4.1200
H9 4.0389 4.2069 5.0378 3.8777 3.3681 1.0806 1.7510 1.7589 2.1407 2.6588 2.4688 3.7253
C10 2.4497 2.7226 3.3029 2.8149 1.3943 1.5088 2.1615 2.1381 2.1407 1.3305 2.0961 2.0909
C11 3.5077 3.5699 4.2370 4.0652 2.3419 2.5242 3.2146 3.2388 2.6588 1.3305 1.0720 1.0721
H12 4.4319 4.4185 5.2414 4.8628 3.3299 2.7759 3.4917 3.5539 2.4688 2.0961 1.0720 1.8404
H13 3.7374 3.7701 4.2457 4.5063 2.5601 3.4924 4.1202 4.1200 3.7253 2.0909 1.0721 1.8404
Maximum atom distance is 5.2414Å between atoms H3 and H12.
picture of 1-Propene, 2-methoxy-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O5 C10 119.721 O5 C10 C6 116.007
O5 C10 C11 118.503 C6 C10 C11 125.391
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 109.628 H2 C1 H4 109.713
H2 C1 O5 110.815 H3 C1 H4 109.330
H3 C1 O5 105.825 H4 C1 O5 111.446
H7 C6 H8 107.916 H7 C6 H9 107.906
H7 C6 C10 111.844 H8 C6 H9 108.655
H8 C6 C10 109.992 H9 C6 C10 110.428
C10 C11 H12 121.118 C10 C11 H13 120.606
H12 C11 H13 118.259

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