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
    5.7343    0.5084   -0.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1494    1.2768    0.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7627    1.5056    0.3863 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8262    0.5038    0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2605   -0.6846    0.3256 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4016    0.7305    0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5307   -0.2456    0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8980   -0.0234   -0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2991    1.1690   -0.1147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8288   -1.0186   -0.1781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2171   -0.7472   -0.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4891    0.0618   -1.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6930    0.0156    0.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0085   -2.0136   -0.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2896    1.2189   -1.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9689    0.0038   -1.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4996   -0.2206   -0.2487 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6245    2.2926    0.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4100    0.7545    1.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0453    1.7499    0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8900   -1.2591    0.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8939   -0.3625   -2.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2947    1.1145   -1.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5538   -0.0545   -1.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8495    0.1931    1.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0761    1.0295    0.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5104   -0.5118    1.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5696   -2.8517    0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1953   -2.3080   -1.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0162   -1.8272    0.0092 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