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
    5.5490   -0.1402   -0.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8854    0.7219    0.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4859    0.7142    0.2749 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6972   -0.4150    0.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2956   -1.5014    0.6181 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470   -0.3889    0.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5637    0.7239    0.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8885    0.7484    0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4921    1.8272   -0.1919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6399   -0.4025    0.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0417   -0.3165    0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5480    0.6129    1.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4978    0.2347   -1.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6737   -1.6924    0.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3112   -1.1919   -0.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6526    0.0606   -0.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2511    0.2298   -1.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2168    1.7792    0.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2671    0.4173    1.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6811   -1.3002    0.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1335    1.6360   -0.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8593    0.6448    2.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6389    1.6197    0.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5736    0.3202    1.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6410    1.3423   -1.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8428   -0.0636   -2.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5214   -0.1835   -1.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6338   -2.1585   -0.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6912   -1.5622    0.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0534   -2.3165    0.9089 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