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
    3.3298   -0.0890   -0.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4726    0.7844    0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0991    0.4855    0.3489 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5440   -0.7515    0.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3082   -1.6674    1.0084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8810   -1.0721    0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6765    0.0810   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0881    1.1653   -0.2366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1060   -0.0213   -0.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8322    1.0035   -0.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1577   -0.5810    0.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6741   -0.9260   -0.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7222    0.4481   -1.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6109    1.8613    0.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8150    0.6140    1.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3102   -1.3753    1.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9521   -1.8870   -0.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6206   -0.9673   -0.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3891    1.9782   -0.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8779    0.9164   -0.8392 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