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
   -3.0042    0.5804    1.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9931   -0.5095    0.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6901   -1.0644    0.3521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078   -0.2557    0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8286    0.9502   -0.2040 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.8556    0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7561    0.1678   -0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3893    1.3463   -0.5566 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1652   -0.1935   -0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0503    0.7333   -0.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8830    0.4304    2.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0992    1.5943    0.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1132    0.5659    2.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6761   -1.3455    0.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3258   -0.1691   -0.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7682   -1.7099   -0.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0347   -1.2517    1.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4795   -1.2095   -0.2293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7402    1.7536   -0.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875    0.4422   -0.7922 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