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
    5.6250    0.4914    0.6823 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3047   -0.6577   -0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9837   -1.1344   -0.0581 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195   -0.2877   -0.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1739    0.9131   -0.5822 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5351   -0.6815   -0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5491    0.1690   -0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8401   -0.2663   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1158   -1.4456    0.2807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9095    0.5935   -0.2419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2530    0.2501   -0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6975   -0.8679   -1.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0767    1.4816   -0.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6201   -0.0844    1.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7295    0.5350    0.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030    0.3401    1.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3060    1.4581    0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4457   -0.2490   -1.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611   -1.4380   -0.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3262   -1.6950    0.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    1.1795   -0.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1138   -0.4720   -1.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9256   -1.6158   -1.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5418   -1.3926   -0.4932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8531    2.2484    0.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6721    1.8423   -1.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1545    1.2453   -0.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5562   -1.1698    1.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6817    0.2027    1.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9384    0.5075    2.0156 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