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
    5.4242   -0.5567    0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026   -0.4562   -1.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3274   -0.2708   -0.8348 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9485    0.8365   -0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8323    1.6315    0.2717 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552    1.0627    0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6686    0.1998   -0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7321    0.4237    0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0991    1.4240    0.7137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7271   -0.4436   -0.3575 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0928   -0.2587   -0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9066   -1.3803   -0.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4161   -0.1184    1.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5181    1.0279   -0.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8830    0.4345    0.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7263   -0.8859    1.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2208   -1.3271    0.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1163    0.3674   -1.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7931   -1.4366   -1.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2644    1.9215    0.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9498   -0.6709   -0.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6569   -1.7822    0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2732   -2.2608   -0.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4621   -1.0805   -1.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9403   -0.9188    1.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2351    0.8923    1.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5236   -0.2952    1.4761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0007    1.0373   -1.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6109    1.0148   -0.9836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2176    1.8686   -0.1678 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