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
    5.3898    0.4621    0.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8224   -0.9280    0.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4277   -0.8439    0.6433 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6706   -0.2180   -0.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2608    0.2587   -1.3344 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2295   -0.1259   -0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6272   -0.6333    0.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8298   -0.5199    0.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4467   -0.9875    1.9907 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5654    0.1027    0.0255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9651    0.2585    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3643    0.9974   -1.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4292    1.0929    1.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6991   -1.0499    0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4297    0.5161    0.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4242    0.8180   -0.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8061    1.2015    1.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3096   -1.4680    1.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -1.4448   -0.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6616    0.3701   -0.9592 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168   -1.1210    1.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4289    0.2309   -2.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6556    1.7995   -1.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4057    1.3880   -1.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8043    1.9837    1.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4450    1.4637    0.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5528    0.4843    2.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7609   -0.8338    0.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6826   -1.4806   -0.9726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3071   -1.7734    0.7851 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