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
    5.4160   -0.1021    0.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8218   -1.0960   -0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4110   -1.1412    0.0054 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7257    0.0632   -0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3736    1.0989   -0.5300 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2898    0.1236   -0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5187   -0.9033    0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9244   -0.7908    0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6473   -1.7834    0.4503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6001    0.4019   -0.0768 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0278    0.4796   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6642   -0.4614   -1.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3857    1.9159   -0.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5204    0.2308    1.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6330    0.0954    1.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8049    0.7960    0.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2551   -0.6343    1.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2767   -2.0933    0.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0622   -0.7255   -1.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7907    1.0639   -0.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9788   -1.8511    0.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0463   -0.5269   -1.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6656   -0.0716   -1.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8047   -1.4803   -0.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7968    2.5464    0.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0082    2.1434   -1.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4721    2.1043   -0.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6979   -0.8409    1.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7025    0.5834    2.0832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3937    0.8556    1.5901 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