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Geometry for C4H10O (Ethanol, 1,1-dimethyl-) 1A C1

1910171554
InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 INChIKey=DKGAVHZHDRPRBM-UHFFFAOYSA-N

B1B95/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0055 -0.0000 0.0133   -0.0078 0.0000 0.0121
H2 1.7409 1.2705 -0.2184   1.7524 -1.2704 0.0870
H3 0.2052 2.1489 -0.0996   0.2195 -2.1489 -0.0624
H4 0.6416 1.3080 -1.6010   0.9097 -1.3080 -1.4654
C5 0.6850 1.2572 -0.5096   0.7631 -1.2572 -0.3830
H6 -1.9719 0.8849 0.0604   -1.9524 -0.8850 -0.2826
H7 -1.9717 -0.8853 0.0604   -1.9523 0.8852 -0.2827
H8 -1.6130 -0.0001 -1.4364   -1.3393 0.0000 -1.6945
C9 -1.4821 -0.0001 -0.3518   -1.3985 0.0001 -0.6036
H10 0.2056 -2.1488 -0.0996   0.2197 2.1489 -0.0624
H11 1.7411 -1.2702 -0.2185   1.7526 1.2703 0.0870
H12 0.6418 -1.3079 -1.6011   0.9098 1.3079 -1.4654
C13 0.6852 -1.2571 -0.5096   0.7632 1.2571 -0.3830
H14 0.9377 0.0000 1.7346   0.6225 -0.0000 1.8710
O15 0.0184 -0.0000 1.4456   -0.2328 -0.0000 1.4269
Atom - Atom Distances (Å)
  C1 H2 H3 H4 C5 H6 H7 H8 C9 H10 H11 H12 C13 H14 O15
C1 2.1721 2.1621 2.1762 1.5267 2.1568 2.1568 2.1647 1.5210 2.1621 2.1721 2.1762 1.5267 1.9628 1.4325
H2 2.1721 1.7731 1.7668 1.0954 3.7431 4.3022 3.7877 3.4670 3.7501 2.5407 3.1254 2.7546 2.4645 2.7112
H3 2.1621 1.7731 1.7754 1.0924 2.5225 3.7378 3.1163 2.7439 4.2977 3.7501 3.7940 3.4640 2.9186 2.6534
H4 2.1762 1.7668 1.7754 1.0935 3.1256 3.7947 2.6118 2.7896 3.7940 3.1253 2.6159 2.7880 3.5952 3.3736
C5 1.5267 1.0954 1.0924 1.0935 2.7427 3.4602 2.7786 2.5104 3.4639 2.7546 2.7880 2.5143 2.5847 2.4182
H6 2.1568 3.7431 2.5225 3.1256 2.7427 1.7702 1.7756 1.0923 3.7378 4.3022 3.7947 3.4602 3.4715 2.5813
H7 2.1568 4.3022 3.7378 3.7947 3.4602 1.7702 1.7756 1.0923 2.5225 3.7431 3.1256 2.7427 3.4716 2.5813
H8 2.1647 3.7877 3.1163 2.6118 2.7786 1.7756 1.7756 1.0925 3.1164 3.7877 2.6118 2.7787 4.0696 3.3117
C9 1.5210 3.4670 2.7439 2.7896 2.5104 1.0923 1.0923 1.0925 2.7439 3.4670 2.7895 2.5104 3.1951 2.3414
H10 2.1621 3.7501 4.2977 3.7940 3.4639 3.7378 2.5225 3.1164 2.7439 1.7731 1.7754 1.0924 2.9186 2.6533
H11 2.1721 2.5407 3.7501 3.1253 2.7546 4.3022 3.7431 3.7877 3.4670 1.7731 1.7668 1.0954 2.4645 2.7112
H12 2.1762 3.1254 3.7940 2.6159 2.7880 3.7947 3.1256 2.6118 2.7895 1.7754 1.7668 1.0935 3.5952 3.3736
C13 1.5267 2.7546 3.4640 2.7880 2.5143 3.4602 2.7427 2.7787 2.5104 1.0924 1.0954 1.0935 2.5847 2.4182
H14 1.9628 2.4645 2.9186 3.5952 2.5847 3.4715 3.4716 4.0696 3.1951 2.9186 2.4645 3.5952 2.5847 0.9637
O15 1.4325 2.7112 2.6534 3.3736 2.4182 2.5813 2.5813 3.3117 2.3414 2.6533 2.7112 3.3736 2.4182 0.9637
Maximum atom distance is 4.3022Å between atoms H2 and H7.
picture of Ethanol, 1,1-dimethyl-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C5 C1 C9 110.912 C5 C1 C13 110.860
C5 C1 O15 109.566 C9 C1 C13 110.913
C9 C1 O15 104.845 C13 C1 O15 109.567
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H2 110.793 C1 C5 H3 110.181
C1 C5 H4 111.232 C1 C9 H6 110.160
C1 C9 H7 110.160 C1 C9 H8 110.774
C1 C13 H10 110.180 C1 C13 H11 110.793
C1 C13 H12 111.232 C1 O15 H14 108.408
H2 C5 H3 108.279 H2 C5 H4 107.640
H3 C5 H4 108.617 H6 C9 H7 108.251
H6 C9 H8 108.718 H7 C9 H8 108.717
H10 C13 H11 108.280 H10 C13 H12 108.617
H11 C13 H12 107.640

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