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
    5.6849    0.5574    0.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8586   -0.7001    0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4942   -0.3079    0.1380 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4562   -1.2138    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7595   -2.4318    0.0243 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0736   -0.8168    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7066    0.4564    0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7251    0.8045    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1163    1.9927    0.0476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7030   -0.1742   -0.0619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0600    0.1268   -0.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8013   -1.2142   -0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4567    0.8449    1.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4702    0.9101   -1.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7568    0.2671    0.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4445    1.2439   -0.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4697    1.0694    1.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0941   -1.3070    1.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0901   -1.1946   -0.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2972   -1.5936   -0.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4748    1.1990    0.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1903   -2.0220    0.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7532   -1.1825    0.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9641   -1.5205   -1.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5359    1.1484    1.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1225    1.7093    0.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9665    0.0996    1.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3891    2.0016   -1.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8769    0.5888   -2.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5298    0.6593   -1.5379 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