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
    5.5892    0.0041    0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1846   -0.9389   -0.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8730   -1.3719   -0.7204 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8562   -0.4410   -0.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1445    0.7667   -0.8068 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4639   -0.8075   -0.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5262    0.1063   -0.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8437   -0.2758   -0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -1.4639    0.0665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8197    0.6901   -0.0410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1805    0.4533    0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4286   -0.2243    1.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8700   -0.2714   -0.9151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8396    1.8364    0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7574    0.1636    0.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4369   -0.4354    0.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8904    1.0061   -0.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2299   -0.3391   -1.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9133   -1.7458   -1.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.8543   -0.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7810    1.1351   -0.4796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0313   -1.2524    1.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5320   -0.2803    1.6455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9682    0.3914    2.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105   -0.1084   -1.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9554   -1.3488   -0.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9322    0.0964   -1.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3775    2.5170   -0.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9333    1.7722    0.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5072    2.2207    1.3052 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