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
    5.5376    0.4217   -0.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8853   -0.5853   -1.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5039   -0.4136   -1.1546 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6744   -0.5328   -0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2244   -0.8419    1.0322 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2442   -0.3348   -0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5296   -0.4718    0.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9048   -0.2889    1.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5141   -0.4384    2.1067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6463    0.0466   -0.0886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0492    0.2279   -0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4888    0.5853   -1.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7696   -1.0372    0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4118    1.3822    0.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4611    1.4475   -0.7494 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0769    0.4970    0.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6309    0.1994   -0.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2647   -0.4618   -2.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2203   -1.5901   -0.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7677   -0.0751   -1.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403   -0.7378    1.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4158    1.2080   -1.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7166    1.1809   -1.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7538   -0.3218   -2.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2520   -1.5423   -0.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0829   -1.7717    0.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5663   -0.7345    1.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4231    1.7460    0.6178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6761    2.1984    0.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3900    1.0387    1.8922 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