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
   -5.4719    0.7544    0.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2415   -0.4958   -0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9215   -0.4165   -1.0279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8838   -0.3576   -0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1192   -0.3748    1.0891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241   -0.2760   -0.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5282   -0.2196    0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8289   -0.1381   -0.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1445   -0.1162   -1.4366 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724   -0.0789    0.6807 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2168    0.0015    0.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4161    1.2737   -0.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7316   -1.2164   -0.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0090    0.1817    1.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4249    1.2332    0.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3799    0.4438    1.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6687    1.5117    0.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2673   -1.4213    0.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0029   -0.6075   -1.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3332   -0.2618   -1.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7187   -0.2337    1.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2147    1.1069   -1.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4358    1.7020   -0.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6787    2.0076   -0.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0766   -2.0749   -0.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7535   -1.1158   -1.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7384   -1.4599   -0.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0843    0.1825    1.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6214    1.1188    2.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6632   -0.6528    2.2766 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