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
    5.5871    0.9687   -0.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3215    0.1690    0.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9431    0.3371    1.1988 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9237   -0.0417    0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2589   -0.5352   -0.7660 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5237    0.1232    0.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5633   -0.2422   -0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483   -0.0888    0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1560    0.4087    1.3177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8596   -0.4586   -0.6362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2295   -0.3360   -0.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6962   -1.0857    0.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9931   -0.8750   -1.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5948    1.1087   -0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7615    1.6942   -0.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5455    1.5079   -0.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6277    0.3239   -1.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9703    0.4316    1.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4235   -0.9057    0.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2383    0.5477    1.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8315   -0.6671   -1.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7953   -1.2697    0.7033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5853   -0.5131    1.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2417   -2.1096    0.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0840   -0.8814   -1.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7178   -0.1915   -2.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6001   -1.8902   -1.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3084    1.5366    0.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0957    1.7237   -1.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7139    1.2104   -0.3269 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