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
   -3.2784    0.6665    0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3714    0.0110    1.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0309   -0.0639    0.7687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6493   -0.7410   -0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5648   -1.2955   -1.0389 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7864   -0.8111   -0.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6572   -0.0776    0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1620    0.4866    1.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0926   -0.0040   -0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9111    0.6331    0.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5073    0.0216   -0.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2139    0.9459    0.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8155    1.6421   -0.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7900   -0.9810    1.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3880    0.6264    2.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0798   -1.8955   -0.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8816   -0.4877   -1.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5268   -0.4926   -0.9549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9724    0.6787    0.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5398    1.1380    1.5987 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