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
    5.4948   -0.9384    0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1831    0.3997    0.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9682    0.8731    0.4091 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8248    0.1172    0.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9112   -0.9771    1.2792 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5277    0.5413    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459   -0.2001    0.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8546    0.2034   -0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9115    1.2815   -0.7880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9463   -0.6056    0.1078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2213   -0.2197   -0.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5622    1.1069    0.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2044   -0.2192   -1.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2614   -1.2290    0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2262   -1.7871    1.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9012   -1.0666   -0.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5802   -1.0506    0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9964    1.1038    0.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0608    0.3420    2.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4732    1.4659   -0.4267 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -1.1336    0.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6954    1.8898   -0.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4898    1.0533    0.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690    1.4607    0.9622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9640    0.7594   -2.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1547   -0.6183   -2.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4051   -0.9201   -2.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0536   -1.5657    1.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2360   -0.6790    0.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3790   -2.0506   -0.6495 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