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
   -3.1440    0.4184    0.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4830   -0.9053    0.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0979   -0.6422    0.3555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6796    0.2760   -0.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5526    0.8387   -1.3063 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7230    0.6326   -0.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6582   -0.0915    0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1640   -0.9002    0.8911 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0949    0.1232   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9229   -0.5183    0.7871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5892    0.9142   -0.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4071    1.1149    1.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9506    0.2646    1.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8504   -1.1573   -0.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6980   -1.6904    1.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8567    1.7261   -0.7235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9907    0.3895   -1.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5363    0.8171   -0.7088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5187   -1.2131    1.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9870   -0.3970    0.7752 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