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
    5.4379    0.6641   -0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7931   -0.6740   -0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3968   -0.5169   -0.1947 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9166   -0.0897    1.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7275    0.1409    1.9449 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4856    0.0785    1.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6366   -0.1691    0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7853    0.0200    0.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.4098    1.5807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7427   -0.2179   -0.5147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1325   -0.0299   -0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8604   -0.3811   -1.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5656   -1.0310    0.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4476    1.3839    0.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1876    0.5473    0.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9575    0.9755   -1.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6745    1.4196    0.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1230   -1.4133    0.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9599   -1.0343   -1.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1356    0.4148    2.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.5039   -0.7419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8756    0.0299   -1.4702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3504    0.0668   -2.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9341   -1.4870   -1.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4393   -0.5174    1.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8573   -1.8868    0.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6159   -1.3440    0.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2139    1.5580    1.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8542    2.0610   -0.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5411    1.5261    0.0074 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