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
    4.9306   -0.7226    1.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2179   -1.9704    1.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0705   -1.5856    0.5690 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1168   -0.8202    1.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3070   -0.5019    2.4163 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9121   -0.3784    0.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7008   -0.7049   -0.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4904   -0.2986   -1.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6870   -0.6134   -2.6296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4562    0.4649   -0.8061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6374    0.9167   -1.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4087    1.7940   -2.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3898    1.7274   -0.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5622   -0.2093   -1.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6118   -0.4456    2.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0345   -0.9040    1.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6387    0.1016    1.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9205   -2.5729    0.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8322   -2.5620    2.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1933    0.2118    1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4306   -1.3108   -1.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4301    2.3231   -2.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2325    2.5533   -2.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552    1.2329   -3.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3723    1.0895    0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4377    1.8920   -0.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8425    2.6449   -0.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1476   -0.8333   -2.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8806   -0.7880   -0.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4870    0.2697   -2.2099 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