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
    5.5270    0.3547    0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5737    1.0044   -0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2589    0.5975   -0.7245 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8568   -0.7249   -0.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7691   -1.5655   -1.0970 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4820   -1.1465   -0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5799   -0.2401   -0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7908   -0.6590   -0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0848   -1.8703   -0.1773 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7470    0.2666    0.2219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1097   -0.0404    0.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8214    1.2558    0.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1934   -0.9895    1.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7421   -0.7066   -0.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4162    0.9959    0.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7848   -0.6449   -0.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9547    0.1914    0.9859 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6255    2.1113   -0.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9210    0.8793   -1.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2022   -2.1793   -0.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8665    0.8216   -0.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1267    2.0328    1.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6083    1.0975    1.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2526    1.6745   -0.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8535   -1.8459    1.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5342   -0.4394    2.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1923   -1.4179    1.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5061   -0.1117   -1.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4151   -1.7565   -0.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8402   -0.7119   -0.6120 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