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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

PBEPBEultrafine/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.8393 -0.0854 0.1499   -1.8413 0.0713 0.1315
H2 1.8606 0.0849 1.2444   -1.8714 -0.0819 1.2282
H3 2.6563 -0.7723 -0.1181   -2.6617 0.7466 -0.1549
H4 2.0043 0.8792 -0.3667   -1.9930 -0.9027 -0.3713
O5 0.6396 -0.7334 -0.2653   -0.6435 0.7234 -0.2828
C6 -0.5643 1.4241 -0.0365   0.5771 -1.4194 -0.0088
H7 0.0323 1.8508 0.7903   -0.0235 -1.8383 0.8192
H8 -0.1488 1.8264 -0.9791   0.1740 -1.8402 -0.9487
H9 -1.5951 1.7940 0.0693   1.6100 -1.7784 0.1125
C10 -0.5577 -0.0828 -0.0326   0.5572 0.0872 -0.0288
C11 -1.6637 -0.8382 0.1134   1.6552 0.8547 0.1156
H12 -2.6465 -0.3732 0.2086   2.6410 0.4000 0.2272
H13 -1.6015 -1.9289 0.1081   1.5835 1.9446 0.0924
Atom - Atom Distances (Å)
  C1 H2 H3 H4 O5 C6 H7 H8 H9 C10 C11 H12 H13
C1 1.1078 1.1005 1.1066 1.4254 2.8444 2.7247 2.9803 3.9158 2.4039 3.5832 4.4954 3.9038
H2 1.1078 1.7956 1.8019 2.1070 3.0519 2.5821 3.4662 4.0303 2.7399 3.8147 4.6472 4.1633
H3 1.1005 1.7956 1.7928 2.0225 3.8991 3.8198 3.9196 4.9694 3.2882 4.3267 5.3278 4.4179
H4 1.1066 1.8019 1.7928 2.1150 2.6464 2.4843 2.4307 3.7393 2.7570 4.0785 4.8507 4.5949
O5 1.4254 2.1070 2.0225 2.1150 2.4812 2.8567 2.7720 3.3902 1.3823 2.3366 3.3395 2.5673
C6 2.8444 3.0519 3.8991 2.6464 2.4812 1.1053 1.1059 1.1002 1.5069 2.5198 2.7615 3.5128
H7 2.7247 2.5821 3.8198 2.4843 2.8567 1.1053 1.7789 1.7808 2.1827 3.2504 3.5299 4.1738
H8 2.9803 3.4662 3.9196 2.4307 2.7720 1.1059 1.7789 1.7866 2.1698 3.2540 3.5338 4.1707
H9 3.9158 4.0303 4.9694 3.7393 3.3902 1.1002 1.7808 1.7866 2.1468 2.6334 2.4128 3.7231
C10 2.4039 2.7399 3.2882 2.7570 1.3823 1.5069 2.1827 2.1698 2.1468 1.3473 2.1226 2.1255
C11 3.5832 3.8147 4.3267 4.0785 2.3366 2.5198 3.2504 3.2540 2.6334 1.3473 1.0914 1.0925
H12 4.4954 4.6472 5.3278 4.8507 3.3395 2.7615 3.5299 3.5338 2.4128 2.1226 1.0914 1.8768
H13 3.9038 4.1633 4.4179 4.5949 2.5673 3.5128 4.1738 4.1707 3.7231 2.1255 1.0925 1.8768
Maximum atom distance is 5.3278Å 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 117.776 O5 C10 C6 118.295
O5 C10 C11 117.733 C6 C10 C11 123.873
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 108.798 H2 C1 H4 108.929
H2 C1 O5 111.953 H3 C1 H4 108.643
H3 C1 O5 105.673 H4 C1 O5 112.694
H7 C6 H8 107.122 H7 C6 H9 107.693
H7 C6 C10 112.442 H8 C6 H9 108.161
H8 C6 C10 111.368 H9 C6 C10 109.878
C10 C11 H12 120.650 C10 C11 H13 120.831
H12 C11 H13 118.492

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