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
    6.2518   -0.2492    0.9872 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2698    0.0158   -0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9632   -0.1115    0.4384 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8225    0.0716   -0.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9966    0.3517   -1.5390 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4765   -0.0571    0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4020    0.1206   -0.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -0.0068    0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1115   -0.2865    1.2912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0472    0.1829   -0.7143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3886    0.0868   -0.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7067   -1.2822    0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2542    0.2594   -1.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7241    1.1483    0.7423 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8802    0.1759    1.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    0.0963    0.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2547   -1.3687    1.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4400    1.0378   -0.5188 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660   -0.7631   -0.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3263   -0.2977    1.2924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5400    0.3636   -1.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2353   -1.1646    1.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8010   -1.8579    0.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3703   -1.8724   -0.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3082    0.3069   -1.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0779   -0.5908   -2.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8617    1.1641   -2.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6779    1.6257    0.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8579    0.7152    1.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8993    1.8936    0.8255 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