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
   -2.7474    1.6164    0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9048    0.1353    0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6856   -0.5791    0.2036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6635   -0.4666   -0.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8134    0.3190   -1.6766 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5923   -1.2182   -0.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6817   -0.4601    0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4889    0.7046    0.4487 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9685   -1.0741    0.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9534   -0.4153    0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7493    1.8753    0.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5536    2.0588    0.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8869    2.0781   -0.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4890   -0.1593    1.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4998   -0.2325   -0.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4782   -2.1630    0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9488   -1.5622   -1.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1564   -2.0771   -0.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9443   -0.8350    0.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7807    0.5934    1.1285 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