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
    5.5042   -0.9260   -0.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8921   -0.4189    1.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771   -0.4738    1.0648 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6938    0.2036    0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3097    0.8834   -0.7249 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2440    0.1338    0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5641    0.7975   -0.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9152    0.7584   -0.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5007    1.4140   -1.6755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6558    0.0329    0.1282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0823    0.0116    0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5957   -0.8584    1.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6410    1.4247    0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4936   -0.5129   -1.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4060   -0.3227   -0.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8239   -1.9928   -0.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8446   -0.8429   -1.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2735    0.5931    1.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2242   -1.0652    1.9208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7176   -0.4503    0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1098    1.3784   -1.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7964   -1.5561    1.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8552   -0.2158    2.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4927   -1.4299    0.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6503    1.4353    0.6198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6167    1.9495   -0.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9784    1.9534    0.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7038   -1.1758   -1.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4305   -1.0844   -1.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6764    0.3562   -1.9789 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