Monomers

Tert-butyl ethyl fumarate

Identifiers

IUPAC name
4-O-tert-butyl 1-O-ethyl (E)-but-2-enedioate
InchI
InChI=1S/C10H16O4/c1-5-13-8(11)6-7-9(12)14-10(2,3)4/h6-7H,5H2,1-4H3/b7-6+
InchI Key
CZFQVAZEWFKUTC-VOTSOKGWSA-N
SMILES
CCOC(=O)/C=C/C(=O)OC(C)(C)C
Canonical SMILES
CCOC(=O)C=CC(=O)OC(C)(C)C
Isomeric SMILES
CCOC(=O)/C=C/C(=O)OC(C)(C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H16O4
Heavy Atom Count
14
Molecular Weight
200.234
Exact Molecular Weight
200.1049
Valence Electrons
80
Radical Electrons
0
tPSA
52.6
MolLogP
1.4474
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 30 29  0  0  0  0  0  0  0  0999 V2000
   -6.1906   -0.4060   -0.6932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1099   -1.2234    0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8935   -0.5343   -0.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6756   -0.9579    0.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6723   -2.0161    0.9759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4296   -0.2107    0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2773   -0.6311    0.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9401    0.1009    0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8806    1.1453   -0.4276 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1779   -0.2905    0.7311 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3634    0.4662    0.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5327   -0.2104    1.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2572    1.8629    1.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6006    0.5312   -1.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0951   -1.0128   -0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8182   -0.0423   -1.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4378    0.4968   -0.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0814   -2.2527   -0.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4046   -1.2105    1.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5152    0.6925   -0.5646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2631   -1.5343    1.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7970   -1.1778    0.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4215    0.4585    0.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3981   -0.3097    2.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1839    2.1603    1.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9887    2.5983    0.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3927    1.8483    1.7405 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.2236   -1.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6628    0.3351   -1.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671    1.5476   -1.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  2 19  1  0
  6 20  1  0
  7 21  1  0
 12 22  1  0
 12 23  1  0
 12 24  1  0
 13 25  1  0
 13 26  1  0
 13 27  1  0
 14 28  1  0
 14 29  1  0
 14 30  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers