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
   -5.5463    0.2696    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8306   -0.6139   -0.9532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4226   -0.4025   -0.9448 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6409   -0.5791    0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1636   -0.9430    1.2405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2108   -0.3450    0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4091   -0.5001    1.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0137   -0.2690    1.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7020   -0.4382    2.1203 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6146    0.1355   -0.0924 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0161    0.3447   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6930   -0.9668    0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3007    1.3569    1.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4878    0.8085   -1.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8788    0.6133    0.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9952    1.1144   -0.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3736   -0.2876    0.4666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0635   -1.6880   -0.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1638   -0.4107   -1.9878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7241   -0.0251   -0.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8895   -0.8210    2.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0733   -1.8335    0.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7069   -1.0358   -0.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8840   -1.0137    1.4106 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0634    2.0936    0.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6578    0.8396    1.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3717    1.8936    1.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7357    1.5107   -1.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4892    1.2799   -1.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5025   -0.0873   -2.1033 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