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
    5.6076   -0.2829    0.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8189    0.5858   -0.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375    0.3332   -0.2377 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4557    0.9744   -0.9665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7619    1.8253   -1.8537 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0598    0.6619   -0.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7574   -0.2281    0.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414   -0.5474    0.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9825   -1.3870    1.3670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6408    0.0722   -0.2130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0194   -0.1558   -0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7476    0.7370   -1.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5110    0.1463    1.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3905   -1.5961   -0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6854    0.0018    0.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3283   -0.0668    1.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4116   -1.3348    0.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0651    1.6647   -0.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0989    0.2584   -1.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    1.1607   -1.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -0.7208    0.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6216    0.3923   -2.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8410    0.7168   -0.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3158    1.7576   -0.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6077   -0.7550    1.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8745    0.9276    1.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5314    0.5778    1.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0669   -2.3009    0.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9830   -1.8199   -1.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5092   -1.5988   -0.4661 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