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
    5.5698    0.4746   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7898   -0.8421   -0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4336   -0.5100   -0.0715 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950   -1.4329   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7048   -2.6379   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0082   -0.9782   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7202    0.2991   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6525    0.7519   -0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9485    1.9762   -0.0320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7024   -0.1450    0.0399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0644    0.2360    0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8669   -1.0711    0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3906    1.1215    1.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3998    0.8789   -1.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6233    0.2238    0.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3955    0.9192   -1.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2330    1.1718    0.6425 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0904   -1.4574    0.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0106   -1.3429   -1.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2315   -1.7478    0.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5050    1.0222   -0.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5278   -1.6569   -0.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5197   -1.6292    1.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9484   -0.8716    0.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2121    2.1894    0.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4292    1.0439    1.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7359    0.9351    2.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4918    0.9327   -1.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9015    0.2692   -2.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9191    1.8774   -1.2854 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