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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

CBS-Q


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -2.3214 0.6387 0.0000   -2.3973 0.2234 0.0000
O2 -1.2595 -0.2584 0.0000   -1.1950 -0.4745 0.0000
C3 0.0000 0.3417 0.0000   -0.0597 0.3365 0.0000
C4 1.0621 -0.7458 0.0000   1.1761 -0.5489 0.0000
C5 2.4823 -0.1777 0.0000   2.4752 0.2586 0.0000
H6 -3.2392 0.0608 0.0000   -3.2000 -0.5059 0.0000
H7 -2.3064 1.2773 0.8854   -2.4940 0.8548 0.8854
H8 -2.3064 1.2773 -0.8854   -2.4940 0.8548 -0.8854
H9 0.1111 0.9821 0.8798   -0.0622 0.9864 0.8798
H10 0.1111 0.9821 -0.8798   -0.0622 0.9864 -0.8798
H11 0.9093 -1.3771 -0.8732   1.1358 -1.1971 -0.8732
H12 0.9093 -1.3771 0.8732   1.1358 -1.1971 0.8732
H13 2.6643 0.4386 0.8794   2.5467 0.8972 0.8794
H14 2.6643 0.4386 -0.8794   2.5467 0.8972 -0.8794
H15 3.2203 -0.9765 0.0000   3.3414 -0.3991 0.0000
Atom - Atom Distances (Å)
  C1 O2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.3901 2.3403 3.6559 4.8726 1.0845 1.0918 1.0918 2.6094 2.6094 3.9068 3.9068 5.0666 5.0666 5.7723
O2 1.3901 1.3952 2.3723 3.7427 2.0053 2.0587 2.0587 2.0473 2.0473 2.5918 2.5918 4.0811 4.0811 4.5370
C3 2.3403 1.3952 1.5202 2.5361 3.2514 2.6417 2.6417 1.0938 1.0938 2.1316 2.1316 2.8074 2.8074 3.4797
C4 3.6559 2.3723 1.5202 1.5296 4.3763 4.0279 4.0279 2.1597 2.1597 1.0883 1.0883 2.1779 2.1779 2.1704
C5 4.8726 3.7427 2.5361 1.5296 5.7265 5.0826 5.0826 2.7824 2.7824 2.1623 2.1623 1.0892 1.0892 1.0876
H6 1.0845 2.0053 3.2514 4.3763 5.7265 1.7703 1.7703 3.5843 3.5843 4.4766 4.4766 5.9806 5.9806 6.5423
H7 1.0918 2.0587 2.6417 4.0279 5.0826 1.7703 1.7708 2.4354 3.0079 4.5254 4.1697 5.0409 5.3409 6.0339
H8 1.0918 2.0587 2.6417 4.0279 5.0826 1.7703 1.7708 3.0079 2.4354 4.1697 4.5254 5.3409 5.0409 6.0339
H9 2.6094 2.0473 1.0938 2.1597 2.7824 3.5843 2.4354 3.0079 1.7596 3.0457 2.4906 2.6104 3.1479 3.7786
H10 2.6094 2.0473 1.0938 2.1597 2.7824 3.5843 3.0079 2.4354 1.7596 2.4906 3.0457 3.1479 2.6104 3.7786
H11 3.9068 2.5918 2.1316 1.0883 2.1623 4.4766 4.5254 4.1697 3.0457 2.4906 1.7464 3.0739 2.5253 2.5027
H12 3.9068 2.5918 2.1316 1.0883 2.1623 4.4766 4.1697 4.5254 2.4906 3.0457 1.7464 2.5253 3.0739 2.5027
H13 5.0666 4.0811 2.8074 2.1779 1.0892 5.9806 5.0409 5.3409 2.6104 3.1479 3.0739 2.5253 1.7588 1.7565
H14 5.0666 4.0811 2.8074 2.1779 1.0892 5.9806 5.3409 5.0409 3.1479 2.6104 2.5253 3.0739 1.7588 1.7565
H15 5.7723 4.5370 3.4797 2.1704 1.0876 6.5423 6.0339 6.0339 3.7786 3.7786 2.5027 2.5027 1.7565 1.7565
Maximum atom distance is 6.5423Å 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 114.331 O2 C3 C4 108.843
C3 C4 C5 112.517
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H6 107.615 O2 C1 H7 111.527
O2 C1 H8 111.527 O2 C3 H9 110.092
O2 C3 H10 110.092 C3 C4 H11 108.473
C3 C4 H12 108.473 C4 C3 H9 110.358
C4 C3 H10 110.358 C4 C5 H13 111.425
C4 C5 H14 111.425 C4 C5 H15 110.924
C5 C4 H11 110.236 C5 C4 H12 110.236
H6 C1 H7 108.863 H6 C1 H8 108.863
H7 C1 H8 108.381 H9 C3 H10 107.090
H11 C4 H12 106.712 H13 C5 H14 107.689
H13 C5 H15 107.595 H14 C5 H15 107.595

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