Monomers

Ethyl 3-oxopent-4-enoate

Identifiers

IUPAC name
ethyl 3-oxopent-4-enoate
InchI
InChI=1S/C7H10O3/c1-3-6(8)5-7(9)10-4-2/h3H,1,4-5H2,2H3
InchI Key
IEZWUJDDYLWKEP-UHFFFAOYSA-N
SMILES
CCOC(=O)CC(=O)C=C
Canonical SMILES
CCOC(=O)CC(=O)C=C
Isomeric SMILES
CCOC(=O)CC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10O3
Heavy Atom Count
10
Molecular Weight
142.154
Exact Molecular Weight
142.063
Valence Electrons
56
Radical Electrons
0
tPSA
43.37
MolLogP
0.6947
H Bond Acceptors
3
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

 20 19  0  0  0  0  0  0  0  0999 V2000
    3.9578   -0.0429    0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5758    0.4039   -0.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5980   -0.1994    0.5120 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2661    0.1759    0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036    0.9865   -0.6898 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8479   -0.3771    1.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1348    0.1667    0.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4997    1.2989    0.9509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0050   -0.5557   -0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1501   -0.0485   -0.7669 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7206    0.7249   -0.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0696   -0.3001    1.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1647   -0.9547   -0.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2811    0.1435   -1.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4587    1.5145   -0.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7032   -0.2137    2.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8424   -1.4953    0.8779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6844   -1.5421   -0.7012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4568    0.9155   -0.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7717   -0.6009   -1.4406 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  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  6 16  1  0
  6 17  1  0
  9 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers