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
    5.5276    0.2412   -0.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7157   -0.5312   -1.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3351   -0.3736   -0.8885 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6201   -0.7011    0.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2692   -1.1737    1.2129 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1954   -0.4825    0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5770    0.0160   -0.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8653    0.2493   -0.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4857    0.7232   -1.7819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5999   -0.0712    0.3241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9989    0.1451    0.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3492    1.5902    0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4986   -0.2496    1.7037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6948   -0.6723   -0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4894    0.5223   -0.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -0.3275    0.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9674    1.1769    0.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9712   -1.6294   -1.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9757   -0.1654   -2.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6338   -0.7320    1.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0993    0.2920   -1.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1758    1.9074    0.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6113    1.8083   -0.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4319    2.1842    0.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4476   -1.3613    1.7601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5081    0.1442    1.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7497    0.1418    2.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3954   -1.3842   -0.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3215   -0.0424   -1.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9557   -1.2448   -1.3588 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