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Geometry for CH2CHOCHCH2 (Vinyl ether) 1A1 C2V

1910171554
InChI=1S/C4H6O/c1-3-5-4-2/h3-4H,1-2H2 INChIKey=QYKIQEUNHZKYBP-UHFFFAOYSA-N

mPW1PW91/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.3329   0.3329 0.0000 0.0000
C2 0.0000 1.1664 -0.3707   -0.3707 0.0000 1.1664
C3 0.0000 -1.1664 -0.3707   -0.3707 0.0000 -1.1664
C4 0.0000 2.3521 0.2336   0.2336 0.0000 2.3521
C5 0.0000 -2.3521 0.2336   0.2336 0.0000 -2.3521
H6 0.0000 1.0544 -1.4570   -1.4570 0.0000 1.0544
H7 0.0000 -1.0544 -1.4570   -1.4570 0.0000 -1.0544
H8 0.0000 3.2548 -0.3695   -0.3695 0.0000 3.2548
H9 0.0000 2.4420 1.3172   1.3172 0.0000 2.4420
H10 0.0000 -3.2548 -0.3695   -0.3695 0.0000 -3.2548
H11 0.0000 -2.4420 1.3172   1.3172 0.0000 -2.4420
Atom - Atom Distances (Å)
  O1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11
O1 1.3622 1.3622 2.3541 2.3541 2.0773 2.0773 3.3297 2.6329 3.3297 2.6329
C2 1.3622 2.3329 1.3307 3.5700 1.0920 2.4723 2.0883 2.1156 4.4212 3.9837
C3 1.3622 2.3329 3.5700 1.3307 2.4723 1.0920 4.4212 3.9837 2.0883 2.1156
C4 2.3541 1.3307 3.5700 4.7041 2.1312 3.8029 1.0857 1.0873 5.6392 4.9149
C5 2.3541 3.5700 1.3307 4.7041 3.8029 2.1312 5.6392 4.9149 1.0857 1.0873
H6 2.0773 1.0920 2.4723 2.1312 3.8029 2.1088 2.4544 3.1018 4.4443 4.4633
H7 2.0773 2.4723 1.0920 3.8029 2.1312 2.1088 4.4443 4.4633 2.4544 3.1018
H8 3.3297 2.0883 4.4212 1.0857 5.6392 2.4544 4.4443 1.8723 6.5096 5.9412
H9 2.6329 2.1156 3.9837 1.0873 4.9149 3.1018 4.4633 1.8723 5.9412 4.8839
H10 3.3297 4.4212 2.0883 5.6392 1.0857 4.4443 2.4544 6.5096 5.9412 1.8723
H11 2.6329 3.9837 2.1156 4.9149 1.0873 4.4633 3.1018 5.9412 4.8839 1.8723
Maximum atom distance is 6.5096Å between atoms H8 and H10.
picture of Vinyl ether
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 C4 121.895 O1 C3 C5 121.895
C2 O1 C3 117.807
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H6 115.208 O1 C3 H7 115.208
C2 C4 H8 119.244 C2 C4 H9 121.752
C3 C5 H10 119.244 C3 C5 H11 121.752
C4 C2 H6 122.897 C5 C3 H7 122.897
H8 C4 H9 119.004 H10 C5 H11 119.004

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