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
    5.5861    0.3042   -0.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7548    0.9565    0.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3709    0.6384    0.3301 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9278   -0.6738    0.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7989   -1.5557    0.5924 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069   -1.0124    0.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069   -0.0818    0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8088   -0.4478    0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1548   -1.6538    0.1181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8095    0.4787   -0.1601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1797    0.1668   -0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4039   -0.7659   -1.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7280   -0.4636    0.9874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9114    1.4838   -0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9831    0.2006   -1.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4548    0.9573   -0.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0068   -0.6718   -0.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0823    0.5399    1.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8985    2.0476    0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234   -2.0481    0.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9189    0.9537    0.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4525   -0.7543   -1.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7267   -0.4905   -2.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1411   -1.7917   -1.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0534   -0.1889    1.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8291   -1.5688    0.8756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7238   -0.0466    1.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7549    1.9037   -1.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4655    2.1945    0.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9770    1.3898   -0.1759 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