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
    5.4127   -0.2754    0.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778    1.0040    0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3723    0.7371    0.0742 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791   -0.2536   -0.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8339   -0.8812   -1.4410 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5786   -0.5530   -0.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6604    0.1267   -0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.2119   -0.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0943   -1.1232   -1.2284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7608    0.4346    0.2496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1363    0.0930    0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4113   -1.3377    0.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5623    0.3859   -1.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9604    0.9805    0.9627 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6897   -1.1073    0.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1296   -0.6011   -0.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9003   -0.0811    1.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8523    1.8009    0.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2092    1.3639   -0.7495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2837   -1.3354   -1.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9647    0.9032    0.4371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9804   -1.8152   -0.4139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0550   -1.4218    1.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4556   -1.8913    0.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4369   -0.5262   -2.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6017    0.7257   -1.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8667    1.1715   -1.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5771    0.3990    1.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3322    1.6618    1.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6677    1.6276    0.3856 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