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
    5.6295    0.7274    0.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3487   -0.6005   -0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0115   -0.9532    0.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9179   -0.1892   -0.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1066    0.8874   -0.8503 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5429   -0.5872    0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5166    0.1839   -0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8389   -0.2343    0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0342   -1.3157    0.7171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9515    0.5059   -0.2365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2764    0.1473    0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1823    1.2438   -0.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4772    0.0928    1.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7085   -1.1469   -0.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1823    1.4018   -0.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7030    1.2031    0.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2291    0.4985    1.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0103   -1.3994    0.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5138   -0.5157   -1.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4166   -1.5045    0.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6601    1.1110   -0.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4549    0.9444   -1.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5983    2.1977   -0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0584    1.3078    0.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5444    0.0156    1.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8746   -0.7040    2.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1191    1.0732    1.9677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3440   -1.2900   -1.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4918   -1.9970    0.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8342   -1.1039   -0.6338 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