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
    5.7280    0.3177   -0.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2589   -0.4571    0.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9219   -0.1658    1.0699 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8426   -0.3675    0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0707   -0.8400   -0.9066 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4627   -0.0674    0.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4737   -0.2829   -0.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9052    0.0105    0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1312    0.4838    1.2177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9249   -0.2248   -0.8296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2728    0.0547   -0.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6756   -0.7669    0.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4360    1.5376   -0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1562   -0.3089   -1.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4761    1.3955   -0.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2509   -0.0773   -1.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8121    0.1387   -0.5933 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8878   -0.1507    1.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4458   -1.5170    0.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2937    0.3390    1.5730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6783   -0.6897   -1.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8084   -1.1407    1.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3847   -0.2044    1.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2239   -1.6636    0.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9460    2.1090   -1.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9990    1.8310    0.7305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5037    1.8287   -0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1509   -0.6219   -1.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3653    0.5896   -2.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7195   -1.0891   -2.3104 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