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
   -3.3122    0.2828    0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3182   -0.8261    0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9837   -0.4166    0.4297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3538    0.4383   -0.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9809    0.8485   -1.4761 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0511    0.8887   -0.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6402    0.4148    0.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0143    0.7120    2.0347 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8538   -0.3480    1.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5736   -0.7125    0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5428    0.5777    1.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2527   -0.1507   -0.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0508    1.1287   -0.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6507   -1.5756    0.9635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3659   -1.3738   -0.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6155    0.5263   -1.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0426    1.9992   -0.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2019   -0.6407    2.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4934   -1.2994    0.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3254   -0.4733   -1.0016 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